      58
 i =        1, E =     -2681.7630096486
 Zr        15.4141361525        8.7260077539       14.7538298123
 Cu        17.0506403207       10.4434003441       16.0175704367
 Cu        17.0087118664       10.3684276892       13.4064503815
 Cu        14.5935033861       10.1300755436       16.8505860473
 Cu        14.5188078141       10.0472408138       12.6037875068
 Cu        13.0120536175        9.8930083886       14.7457479141
 Cu        18.5599433442       12.1168175724       17.2149636444
 Cu        18.5045543441       11.9681508737       12.1294598690
 Cu        18.6515354320       12.0235894664       14.6763809204
 Cu        16.2017316475       11.7867684362       18.1143124810
 Cu        15.0847387078       11.3252482897       14.6915802090
 Cu        13.7876145328       11.5485498626       18.8276499077
 Cu        16.1220882200       11.6293306147       11.2649665509
 Cu        13.6712141037       11.3770863875       10.5982381139
 Cu        12.2044839770       11.2323267011       16.8458839135
 Cu        12.1260283379       11.1594899054       12.6012835259
 Cu        10.7660348732       11.0732963157       14.7493814114
 Cu        16.6776962408       12.9241082602       15.9462621051
 Cu        16.6650604251       12.8490987893       13.3920010770
 Cu        14.2805197324       12.6176873779       16.7519932287
 Cu        14.2145835069       12.5378337379       12.6115538608
 Cu        12.7624720163       12.3826870205       14.6883159103
 Cu        18.7614477518       14.2906525143       15.9362164596
 Cu        18.7560572937       14.2088463805       13.3245657703
 Cu        17.2508878841       14.1401176618       18.0375437138
 Cu        17.2360291554       13.9675078404       11.2351636884
 Cu        14.8274345392       13.8664657510       18.8450297877
 Cu        14.7789018713       13.7477439319       14.6561565275
 Cu        14.7555595317       13.6463002700       10.4431288620
 Cu        12.3610443278       13.4970725277       18.1063251736
 Cu        12.2845565001       13.3871762996       11.2667861004
 Cu        10.8366337485       13.2518761756       16.0241917038
 Cu        10.7817596649       13.2291206416       13.4086192410
 Cu        16.8166940194       15.0901212908       14.5998328050
 Cu        15.3224053630       14.9839275825       16.6792265104
 Cu        15.3118401427       14.8427176026       12.5446786669
 Cu        12.9190737843       14.6131900105       15.9423969842
 Cu        12.8735813067       14.5854362897       13.3897940244
 Cu        18.7765077432       16.4419880572       14.5571352891
 Cu        17.4036887842       16.3621340741       16.6820975562
 Cu        17.3951569652       16.2542983357       12.4456081570
 Cu        15.8632955380       16.1795491294       18.6752050192
 Cu        13.4174870927       15.8819972653       18.0330121235
 Cu        15.8133252322       15.9371635363       10.4657721480
 Cu        14.4990138847       16.1959024555       14.5975162289
 Cu        13.3868553069       15.7219256614       11.2266467480
 Cu        10.9221614063       15.4778416643       14.6690074831
 Cu        11.0808585863       15.4909388296       17.1740445832
 Cu        11.0147322897       15.4013714792       12.1222447208
 Cu        16.5216000724       17.6231643665       14.5329011778
 Cu        15.0104424010       17.4805436160       16.6629056794
 Cu        15.0188277746       17.3056028796       12.4303879091
 Cu        12.5687126412       17.1142429384       15.8538602223
 Cu        12.5199307196       17.0624703189       13.3111572353
 Zr        14.1336944780       19.0148963419       14.4008922549
  O        13.9262303275       20.9507424601       13.9417449735
  C        13.7894617539       21.0076784354       15.3375421002
  O        13.6009603628       21.9948333632       15.9994003416
      58
 i =        2, E =     -2681.7654270535
 Zr        15.4109839292        8.7397581148       14.7517565722
 Cu        17.0279194770       10.4623230960       16.0037120927
 Cu        17.0026973185       10.3898321916       13.4104428820
 Cu        14.5915591368       10.1584676939       16.8440921221
 Cu        14.5211667295       10.0694204849       12.6223990209
 Cu        13.0280554086        9.9246589331       14.7385400217
 Cu        18.5231198458       12.1282582598       17.1927494071
 Cu        18.4821889837       11.9892600214       12.1476924969
 Cu        18.6175830791       12.0238255650       14.6737913953
 Cu        16.1956719203       11.7908041741       18.0950753969
 Cu        15.0876984047       11.3422580697       14.7024589604
 Cu        13.7866203193       11.5520892130       18.8034842704
 Cu        16.1187925031       11.6321381742       11.2882897108
 Cu        13.6817786564       11.3793612299       10.6197596613
 Cu        12.2200294470       11.2420898937       16.8360869708
 Cu        12.1471491491       11.1721353991       12.6183100294
 Cu        10.7857236424       11.0824588621       14.7511187515
 Cu        16.6689459309       12.9360869326       15.9344312211
 Cu        16.6495986348       12.8623472566       13.3905776021
 Cu        14.2812993906       12.6391694144       16.7421662047
 Cu        14.2295484335       12.5488673864       12.6250739943
 Cu        12.7708938049       12.4055994856       14.6979002445
 Cu        18.7514265210       14.2917784115       15.9151392735
 Cu        18.7407660567       14.2118255403       13.3263309164
 Cu        17.2472834643       14.1480424313       18.0210260147
 Cu        17.2180802451       13.9661670359       11.2401663106
 Cu        14.8221697912       13.8552246437       18.8403979911
 Cu        14.7834488758       13.7614021888       14.6506974223
 Cu        14.7526139635       13.6459299377       10.4552008306
 Cu        12.3734019798       13.5085913490       18.0794594049
 Cu        12.3025996042       13.3758894780       11.2947345882
 Cu        10.8431283620       13.2616979578       16.0128513870
 Cu        10.8095983778       13.2235936923       13.4131968762
 Cu        16.7988575765       15.0970564437       14.6017474439
 Cu        15.3232355228       14.9722051988       16.6730244371
 Cu        15.3012212932       14.8407807779       12.5609837368
 Cu        12.9210221266       14.6272890501       15.9268238511
 Cu        12.8956656953       14.5762502888       13.3860085916
 Cu        18.7687142241       16.4229065389       14.5577499635
 Cu        17.3979490776       16.3525166549       16.6756630805
 Cu        17.3828324517       16.2270069116       12.4618132713
 Cu        15.8517667252       16.1560591450       18.6592904614
 Cu        13.4354721737       15.8718081607       18.0146445483
 Cu        15.8146502046       15.9158836721       10.4974545906
 Cu        14.4804793676       16.1913029342       14.5959465323
 Cu        13.3824876969       15.7071019706       11.2214395618
 Cu        10.9336620233       15.4609775852       14.6617238818
 Cu        11.0960899252       15.4906042847       17.1735195432
 Cu        11.0419999667       15.3879437873       12.1341355687
 Cu        16.5161189653       17.5956758680       14.5380727692
 Cu        15.0173125636       17.4619428019       16.6382136247
 Cu        15.0254884943       17.2786563419       12.4355233319
 Cu        12.5699309718       17.1102735697       15.8582435470
 Cu        12.5299099621       17.0387527428       13.3151566413
 Zr        14.1376303577       18.9928162951       14.4072758627
  O        13.9381774114       20.9238943196       13.9527648942
  C        13.7904276160       20.9918720581       15.3434691821
  O        13.6022539356       21.9799630114       16.0036999401
      58
 i =        3, E =     -2681.7655907480
 Zr        15.4109221304        8.7386388250       14.7520114199
 Cu        17.0292782474       10.4625932068       16.0046834747
 Cu        17.0029448136       10.3900283678       13.4106668563
 Cu        14.5908627658       10.1591904480       16.8445548668
 Cu        14.5221759697       10.0685902404       12.6224777187
 Cu        13.0275032387        9.9246377043       14.7386288131
 Cu        18.5239257376       12.1273065352       17.1928465637
 Cu        18.4854190640       11.9888435221       12.1467572438
 Cu        18.6181986049       12.0219886543       14.6724456057
 Cu        16.1947518913       11.7904592715       18.0959094564
 Cu        15.0873127906       11.3435090492       14.7032736872
 Cu        13.7844517437       11.5512359232       18.8038074511
 Cu        16.1208652579       11.6291417722       11.2878140453
 Cu        13.6833355402       11.3759442051       10.6205457682
 Cu        12.2192117358       11.2419203355       16.8366557299
 Cu        12.1493464598       11.1690854326       12.6202669540
 Cu        10.7853707175       11.0819970721       14.7522619012
 Cu        16.6689640489       12.9378084798       15.9343154298
 Cu        16.6494573565       12.8639308730       13.3891674404
 Cu        14.2801090626       12.6408135559       16.7432834838
 Cu        14.2301094338       12.5487942299       12.6243648432
 Cu        12.7697869579       12.4076664911       14.6994332430
 Cu        18.7531470384       14.2911781593       15.9135187724
 Cu        18.7411565358       14.2127927094       13.3252555007
 Cu        17.2493303842       14.1491053102       18.0223181443
 Cu        17.2182315147       13.9652287540       11.2372274819
 Cu        14.8221843726       13.8551843125       18.8423797518
 Cu        14.7828128476       13.7622925249       14.6517420232
 Cu        14.7526277570       13.6442356454       10.4531091022
 Cu        12.3717737010       13.5098781230       18.0806845034
 Cu        12.3008989741       13.3732219503       11.2924199201
 Cu        10.8403637837       13.2634089084       16.0131468213
 Cu        10.8091531009       13.2223733005       13.4124423516
 Cu        16.7991751272       15.0990931815       14.6023473860
 Cu        15.3237701008       14.9725032335       16.6749701136
 Cu        15.3009603253       14.8424759022       12.5593060338
 Cu        12.9193609956       14.6301501126       15.9264859123
 Cu        12.8949583856       14.5773718938       13.3837469104
 Cu        18.7713944918       16.4238715166       14.5577470547
 Cu        17.3998042071       16.3536774072       16.6769440045
 Cu        17.3841653880       16.2278802249       12.4602492578
 Cu        15.8523841709       16.1578890567       18.6618242938
 Cu        13.4345061018       15.8733252820       18.0165222050
 Cu        15.8149614360       15.9161245160       10.4940348841
 Cu        14.4790407671       16.1920633787       14.5964951041
 Cu        13.3816947253       15.7063810023       11.2178914996
 Cu        10.9317547701       15.4608573224       14.6602506376
 Cu        11.0941642655       15.4926798915       17.1743003541
 Cu        11.0389401990       15.3869906022       12.1319288437
 Cu        16.5176481625       17.5955228078       14.5389873358
 Cu        15.0193019573       17.4621390021       16.6402881051
 Cu        15.0252996470       17.2804135830       12.4347430373
 Cu        12.5682818870       17.1128516253       15.8598003227
 Cu        12.5277128221       17.0394358898       13.3133571270
 Zr        14.1379484436       18.9942733849       14.4069103278
  O        13.9353683280       20.9327078816       13.9544288140
  C        13.7911364108       20.9846772510       15.3452657024
  O        13.6022533545       21.9755230033       16.0009069430
      58
 i =        4, E =     -2681.7657752852
 Zr        15.4108351176        8.7388953351       14.7529059062
 Cu        17.0306303553       10.4639447032       16.0060802577
 Cu        17.0034454272       10.3911426996       13.4115228303
 Cu        14.5893736959       10.1617073591       16.8451963461
 Cu        14.5246209946       10.0675964883       12.6235778988
 Cu        13.0272026684        9.9257859053       14.7390278701
 Cu        18.5241028468       12.1258145670       17.1921153129
 Cu        18.4903318396       11.9889793900       12.1456752623
 Cu        18.6180113272       12.0188553507       14.6698036209
 Cu        16.1925524708       11.7902762294       18.0965004275
 Cu        15.0867654326       11.3467237557       14.7051847577
 Cu        13.7801229632       11.5501313097       18.8035451126
 Cu        16.1246667310       11.6237571264       11.2880110437
 Cu        13.6869233977       11.3693181431       10.6228634516
 Cu        12.2180203872       11.2423792071       16.8374302063
 Cu        12.1545348702       11.1636811777       12.6247575814
 Cu        10.7854909459       11.0816632013       14.7545867827
 Cu        16.6686694935       12.9417680382       15.9336965910
 Cu        16.6487073690       12.8675740108       13.3865120851
 Cu        14.2777400658       12.6449870735       16.7450716086
 Cu        14.2317083347       12.5490726468       12.6236346496
 Cu        12.7680647725       12.4125256264       14.7025472620
 Cu        18.7560387312       14.2899353619       15.9096113841
 Cu        18.7411933715       14.2148644435       13.3229718559
 Cu        17.2530198695       14.1512924976       18.0240037136
 Cu        17.2177383062       13.9634683103       11.2319049197
 Cu        14.8220502273       13.8549610645       18.8458677714
 Cu        14.7816894041       13.7647773944       14.6533554162
 Cu        14.7525524564       13.6408560290       10.4497796752
 Cu        12.3689765130       13.5130811187       18.0821336425
 Cu        12.2987163502       13.3674171008       11.2891411704
 Cu        10.8357190071       13.2673883886       16.0131792640
 Cu        10.8092318723       13.2198895329       13.4109871074
 Cu        16.7991042267       15.1031509942       14.6034559245
 Cu        15.3247128529       14.9730980118       16.6784473471
 Cu        15.3001002099       14.8453832151       12.5566390853
 Cu        12.9163338263       14.6363160775       15.9252939918
 Cu        12.8942867245       14.5792707197       13.3792490677
 Cu        18.7757418324       16.4249964780       14.5576418753
 Cu        17.4032314951       16.3553021515       16.6792474176
 Cu        17.3861365204       16.2286118033       12.4576453510
 Cu        15.8532240255       16.1605841431       18.6660350371
 Cu        13.4332799241       15.8760271891       18.0193809315
 Cu        15.8153803805       15.9154928696       10.4885022848
 Cu        14.4757953549       16.1936092528       14.5972038537
 Cu        13.3799777290       15.7040609772       11.2108878238
 Cu        10.9283364022       15.4601843511       14.6568912974
 Cu        11.0911169256       15.4970994287       17.1753758416
 Cu        11.0343305198       15.3841741720       12.1275927818
 Cu        16.5203391636       17.5945695724       14.5407585023
 Cu        15.0232923145       17.4621827277       16.6431483861
 Cu        15.0252688401       17.2819727310       12.4327272348
 Cu        12.5655380753       17.1178659945       15.8623948183
 Cu        12.5236378090       17.0397249796       13.3097912384
 Zr        14.1393684907       18.9922179341       14.4059841777
  O        13.9331508098       20.9342927878       13.9538367533
  C        13.7914835815       20.9801506411       15.3440656210
  O        13.6010468739       21.9643565716       16.0096917127
      58
 i =        5, E =     -2681.7659777286
 Zr        15.4110439926        8.7433324798       14.7557084803
 Cu        17.0294702906       10.4692426990       16.0072322450
 Cu        17.0043242278       10.3957664752       13.4143604196
 Cu        14.5861713304       10.1698186737       16.8457203269
 Cu        14.5305951269       10.0678726811       12.6282499083
 Cu        13.0288807950        9.9318305381       14.7405094881
 Cu        18.5205499317       12.1245263425       17.1883981190
 Cu        18.4952976196       11.9919083357       12.1457712234
 Cu        18.6138598781       12.0146393307       14.6650721659
 Cu        16.1874704211       11.7916525948       18.0948737724
 Cu        15.0863127333       11.3548695468       14.7096452852
 Cu        13.7721245256       11.5501550916       18.8007937630
 Cu        16.1309020517       11.6153215443       11.2913840444
 Cu        13.6948621849       11.3572468552       10.6291273014
 Cu        12.2168007204       11.2457706606       16.8381053241
 Cu        12.1661989922       11.1553050950       12.6346186450
 Cu        10.7878398179       11.0827667314       14.7591353974
 Cu        16.6671969321       12.9507111385       15.9314942079
 Cu        16.6460797946       12.8759418510       13.3819183940
 Cu        14.2732950079       12.6553957056       16.7472371406
 Cu        14.2359718641       12.5508651477       12.6239618784
 Cu        12.7660738580       12.4237518044       14.7083771337
 Cu        18.7599011672       14.2875547868       15.9005479489
 Cu        18.7395664250       14.2189642884       13.3182681954
 Cu        17.2588778808       14.1556110842       18.0247442917
 Cu        17.2147702257       13.9602648147       11.2232275661
 Cu        14.8212311262       13.8543013542       18.8512485066
 Cu        14.7800097988       13.7712843933       14.6549767579
 Cu        14.7522569900       13.6342602595       10.4456465345
 Cu        12.3650668415       13.5210991075       18.0821576406
 Cu        12.2978605522       13.3548981038       11.2865649097
 Cu        10.8295073589       13.2764161102       16.0116831168
 Cu        10.8118730877       13.2149630635       13.4083249464
 Cu        16.7971515196       15.1105678525       14.6051455521
 Cu        15.3262193413       14.9738936959       16.6838912939
 Cu        15.2974491699       14.8498864141       12.5535573640
 Cu        12.9113928486       14.6487869920       15.9216652894
 Cu        12.8951525001       14.5818446213       13.3708710390
 Cu        18.7813077549       16.4247138592       14.5568728513
 Cu        17.4090877585       16.3561955737       16.6827919690
 Cu        17.3876983984       16.2269588177       12.4540548059
 Cu        15.8539905106       16.1623634518       18.6719417257
 Cu        13.4328810360       15.8801188791       18.0222148572
 Cu        15.8154631215       15.9113981949       10.4820859431
 Cu        14.4686587900       16.1963251192       14.5980455185
 Cu        13.3765502782       15.6971381625       11.1978058803
 Cu        10.9229007106       15.4576471072       14.6492113053
 Cu        11.0873026068       15.5058894767       17.1759912481
 Cu        11.0305026193       15.3763763227       12.1196276958
 Cu        16.5242079713       17.5908747240       14.5442196431
 Cu        15.0308374625       17.4609520029       16.6454445018
 Cu        15.0253240750       17.2807302272       12.4288233405
 Cu        12.5618403373       17.1265216866       15.8660182891
 Cu        12.5173585171       17.0377211586       13.3037885197
 Zr        14.1431831914       18.9833182783       14.3996511497
  O        13.9325366513       20.9297727071       13.9549781434
  C        13.7921470713       20.9626763526       15.3421493756
  O        13.5984466918       21.9357894575       16.0224019857
      58
 i =        6, E =     -2681.7660454808
 Zr        15.4119132393        8.7453465318       14.7578757374
 Cu        17.0282447394       10.4712905152       16.0076673033
 Cu        17.0050602408       10.3972465743       13.4159019582
 Cu        14.5851805808       10.1718662828       16.8460025832
 Cu        14.5331782846       10.0677735439       12.6297852571
 Cu        13.0297341773        9.9338520891       14.7427102629
 Cu        18.5200209890       12.1250095772       17.1878845095
 Cu        18.4943268360       11.9930684437       12.1458030719
 Cu        18.6130216592       12.0157478911       14.6647461185
 Cu        16.1862096577       11.7934203120       18.0941279938
 Cu        15.0863935573       11.3567788812       14.7103908259
 Cu        13.7711007425       11.5523433197       18.8007729934
 Cu        16.1317238271       11.6150262253       11.2922536727
 Cu        13.6965831542       11.3548021350       10.6300182689
 Cu        12.2157558758       11.2483530578       16.8386599007
 Cu        12.1679179124       11.1539662606       12.6359701632
 Cu        10.7883039752       11.0839185821       14.7598499513
 Cu        16.6668693416       12.9526066744       15.9314185276
 Cu        16.6461149696       12.8775575611       13.3818067348
 Cu        14.2722709916       12.6580925008       16.7476508532
 Cu        14.2364190252       12.5510493050       12.6243149362
 Cu        12.7659296066       12.4256111191       14.7085171585
 Cu        18.7601432508       14.2870999385       15.8994388407
 Cu        18.7391647523       14.2196802899       13.3167563452
 Cu        17.2592643574       14.1558323799       18.0242060908
 Cu        17.2142147941       13.9599998405       11.2223312256
 Cu        14.8210263931       13.8554649758       18.8517313485
 Cu        14.7795802947       13.7728463714       14.6544878769
 Cu        14.7523777879       13.6326044341       10.4456603734
 Cu        12.3643028467       13.5237793777       18.0822954985
 Cu        12.2991597347       13.3520471216       11.2867062361
 Cu        10.8298850111       13.2788376902       16.0108930253
 Cu        10.8119419872       13.2142597765       13.4071890438
 Cu        16.7969258548       15.1110066173       14.6047905296
 Cu        15.3260843481       14.9752163336       16.6843646629
 Cu        15.2971413131       14.8496784953       12.5529209254
 Cu        12.9108978856       14.6509004990       15.9211579647
 Cu        12.8949532501       14.5821315984       13.3697030447
 Cu        18.7808680181       16.4243365092       14.5560394639
 Cu        17.4102053923       16.3551749469       16.6832141481
 Cu        17.3871679569       16.2265695209       12.4527566819
 Cu        15.8546884120       16.1619235796       18.6726917654
 Cu        13.4327500467       15.8812384957       18.0220715651
 Cu        15.8147037028       15.9097641248       10.4805436381
 Cu        14.4682066741       16.1969883458       14.5976358405
 Cu        13.3761697031       15.6947105128       11.1955897136
 Cu        10.9217010359       15.4578113490       14.6470941348
 Cu        11.0868026918       15.5082664544       17.1745626784
 Cu        11.0311789938       15.3737047282       12.1167996065
 Cu        16.5247252497       17.5909996808       14.5442366719
 Cu        15.0313980423       17.4614734333       16.6452665829
 Cu        15.0250308952       17.2784790114       12.4265775273
 Cu        12.5624038245       17.1281503379       15.8648658130
 Cu        12.5161986161       17.0368395833       13.3025316398
 Zr        14.1446736384       18.9797663628       14.3933044144
  O        13.9342457731       20.9267070613       13.9567440186
  C        13.7909037516       20.9578558494       15.3424935797
  O        13.5983814753       21.9276434877       16.0279486975
      58
 i =        7, E =     -2681.7662077824
 Zr        15.4148105589        8.7497980073       14.7650080021
 Cu        17.0252045873       10.4765978052       16.0095046572
 Cu        17.0075486611       10.4007068874       13.4205139718
 Cu        14.5825967791       10.1761798554       16.8475189072
 Cu        14.5401446900       10.0671088631       12.6333675978
 Cu        13.0318484747        9.9382784385       14.7504596186
 Cu        18.5200694474       12.1277194125       17.1879977437
 Cu        18.4899367137       11.9957181154       12.1454915250
 Cu        18.6124898646       12.0219654070       14.6657182224
 Cu        16.1838743974       11.7996138195       18.0929121842
 Cu        15.0868099308       11.3599805767       14.7113848676
 Cu        13.7705348567       11.5609355874       18.8025574337
 Cu        16.1323424324       11.6175045585       11.2935368867
 Cu        13.6993506319       11.3506993688       10.6306335165
 Cu        12.2121869123       11.2568740532       16.8406225490
 Cu        12.1688944635       11.1524538730       12.6365586435
 Cu        10.7886807262       11.0875919714       14.7603855907
 Cu        16.6662614217       12.9557318575       15.9324177760
 Cu        16.6475343471       12.8795192750       13.3834151005
 Cu        14.2703330837       12.6636314275       16.7483926488
 Cu        14.2361202413       12.5503683989       12.6253743377
 Cu        12.7661033424       12.4273003640       14.7064709211
 Cu        18.7595078654       14.2870542531       15.8995397117
 Cu        18.7386862544       14.2206884635       13.3132266356
 Cu        17.2581458702       14.1551588100       18.0225252801
 Cu        17.2139458910       13.9603102753       11.2225464309
 Cu        14.8206117092       13.8607562487       18.8512138908
 Cu        14.7787681461       13.7754315662       14.6522534217
 Cu        14.7528952907       13.6289340129       10.4468574060
 Cu        12.3630651232       13.5307904110       18.0828733101
 Cu        12.3036089338       13.3469343914       11.2875741750
 Cu        10.8330856596       13.2839084530       16.0086102340
 Cu        10.8108936473       13.2138588462       13.4039430389
 Cu        16.7972072834       15.1095783420       14.6024713532
 Cu        15.3248664469       14.9801272359       16.6834435666
 Cu        15.2972513439       14.8466086134       12.5513566712
 Cu        12.9111137564       14.6534207958       15.9207285641
 Cu        12.8936792473       14.5818148286       13.3688874532
 Cu        18.7774378542       16.4236317672       14.5530826458
 Cu        17.4118779779       16.3514994370       16.6830046280
 Cu        17.3846544560       16.2261519171       12.4492111395
 Cu        15.8569292520       16.1606429607       18.6725444631
 Cu        13.4324024568       15.8844715981       18.0202720944
 Cu        15.8120284183       15.9053071177       10.4767469824
 Cu        14.4699879383       16.1981178499       14.5952194591
 Cu        13.3762199138       15.6887394152       11.1927646075
 Cu        10.9198118207       15.4597674344       14.6423789124
 Cu        11.0864648516       15.5138710524       17.1687496956
 Cu        11.0345841662       15.3675933915       12.1094683533
 Cu        16.5250479901       17.5928035558       14.5423264606
 Cu        15.0300386477       17.4645208362       16.6426460316
 Cu        15.0238782223       17.2710508465       12.4192259021
 Cu        12.5657599390       17.1307407901       15.8582368110
 Cu        12.5147574706       17.0344806834       13.2998163311
 Zr        14.1475731685       18.9741326380       14.3755387807
  O        13.9379587309       20.9239642768       13.9658244861
  C        13.7867171851       20.9488133994       15.3482255070
  O        13.5994934363       21.9120517237       16.0458650061
      58
 i =        8, E =     -2681.7662170862
 Zr        15.4243678990        8.7659731858       14.7921500196
 Cu        17.0163595011       10.4979538355       16.0183769107
 Cu        17.0169141318       10.4150520473       13.4383316787
 Cu        14.5711540597       10.1962451360       16.8548661050
 Cu        14.5675596470       10.0644330461       12.6481933541
 Cu        13.0392257594        9.9557479481       14.7783834546
 Cu        18.5191770279       12.1375217188       17.1873187072
 Cu        18.4806441373       12.0055488031       12.1438579542
 Cu        18.6102637821       12.0413274416       14.6668295825
 Cu        16.1732665727       11.8225341272       18.0899553526
 Cu        15.0877973277       11.3748563315       14.7178364238
 Cu        13.7634239479       11.5916569700       18.8085839281
 Cu        16.1386749309       11.6208529773       11.2988727220
 Cu        13.7129662478       11.3289225894       10.6365359902
 Cu        12.1986878361       11.2895215377       16.8482003964
 Cu        12.1782332183       11.1417331613       12.6440132523
 Cu        10.7905944050       11.1005529369       14.7645707224
 Cu        16.6632360729       12.9716267653       15.9353305749
 Cu        16.6512931682       12.8900594381       13.3864671601
 Cu        14.2610460277       12.6888446856       16.7525627598
 Cu        14.2372598514       12.5475659953       12.6289535438
 Cu        12.7652176222       12.4387290720       14.7026624591
 Cu        18.7598126917       14.2871899797       15.8954003249
 Cu        18.7368729107       14.2267814616       13.2986644785
 Cu        17.2574539723       14.1566263673       18.0185875278
 Cu        17.2126296575       13.9592359932       11.2177172889
 Cu        14.8185650617       13.8807150883       18.8524963025
 Cu        14.7751436044       13.7872101841       14.6460840314
 Cu        14.7544105668       13.6114727552       10.4470525244
 Cu        12.3563264930       13.5611584130       18.0849715518
 Cu        12.3164870779       13.3222324828       11.2871602637
 Cu        10.8385515420       13.3067079632       15.9997421577
 Cu        10.8084292704       13.2097514116       13.3906751211
 Cu        16.7976526416       15.1093537229       14.5946678581
 Cu        15.3213291288       14.9985771888       16.6823697718
 Cu        15.2963691721       14.8378994118       12.5427221867
 Cu        12.9088737705       14.6695075385       15.9166456184
 Cu        12.8894410457       14.5816363756       13.3608606079
 Cu        18.7701285552       16.4226106163       14.5418304048
 Cu        17.4210163929       16.3407743981       16.6833386420
 Cu        17.3771195683       16.2245837967       12.4342054036
 Cu        15.8650450570       16.1603889084       18.6741537755
 Cu        13.4308488376       15.9003928984       18.0150446845
 Cu        15.8032519907       15.8873985420       10.4578412564
 Cu        14.4728784647       16.2035380318       14.5857295406
 Cu        13.3744285453       15.6643607389       11.1746342841
 Cu        10.9109237149       15.4657931151       14.6211739422
 Cu        11.0829299141       15.5399323010       17.1483255770
 Cu        11.0424905595       15.3431995159       12.0790683085
 Cu        16.5283994765       17.5966619292       14.5361694307
 Cu        15.0292776548       17.4760028232       16.6326965161
 Cu        15.0196002200       17.2462360225       12.3901448348
 Cu        12.5742448537       17.1456449637       15.8352535873
 Cu        12.5068106815       17.0256901983       13.2851143296
 Zr        14.1577223957       18.9554480580       14.3174406217
  O        13.9458566062       20.9239307798       14.0056888861
  C        13.7754061619       20.9038894881       15.3754176619
  O        13.6009455469       21.8317484810       16.1308066063
      58
 i =        9, E =     -2681.7665494847
 Zr        15.4205825994        8.7597804014       14.7836188956
 Cu        17.0208725642       10.4903882301       16.0167139790
 Cu        17.0137069030       10.4097003101       13.4320774358
 Cu        14.5745111217       10.1906281640       16.8537728367
 Cu        14.5575673984       10.0649921363       12.6433916215
 Cu        13.0360605336        9.9489497961       14.7686486504
 Cu        18.5199709471       12.1351356487       17.1881810040
 Cu        18.4861710583       12.0016300884       12.1441595828
 Cu        18.6122949490       12.0339841962       14.6666416879
 Cu        16.1771504062       11.8150523090       18.0923752748
 Cu        15.0873811151       11.3694287978       14.7161558111
 Cu        13.7650900363       11.5821547289       18.8074447578
 Cu        16.1371557090       11.6186598384       11.2965697406
 Cu        13.7082187526       11.3350429893       10.6349984135
 Cu        12.2027522354       11.2795001975       16.8461081629
 Cu        12.1749522142       11.1445679127       12.6417746954
 Cu        10.7895431108       11.0956380393       14.7631652279
 Cu        16.6641846211       12.9662841435       15.9346130917
 Cu        16.6501053591       12.8858778290       13.3852955811
 Cu        14.2640287292       12.6808474363       16.7512758393
 Cu        14.2369950857       12.5475507532       12.6275439463
 Cu        12.7651807266       12.4347277834       14.7042918632
 Cu        18.7600680211       14.2884168816       15.8968340600
 Cu        18.7380513798       14.2249974851       13.3040464939
 Cu        17.2577058071       14.1575215714       18.0209900753
 Cu        17.2138296339       13.9592528327       11.2184836641
 Cu        14.8189259910       13.8754779566       18.8523323388
 Cu        14.7764936411       13.7829936188       14.6486572549
 Cu        14.7539869438       13.6161862715       10.4454598085
 Cu        12.3581244916       13.5522663250       18.0837974626
 Cu        12.3105470528       13.3299357335       11.2857722799
 Cu        10.8347616614       13.2991625075       16.0026140856
 Cu        10.8092142142       13.2108117460       13.3946727391
 Cu        16.7977425919       15.1103118221       14.5968641565
 Cu        15.3225052623       14.9932365949       16.6820825653
 Cu        15.2967775345       14.8407258863       12.5444252070
 Cu        12.9093665454       14.6651091506       15.9173024375
 Cu        12.8908253511       14.5813422526       13.3628952381
 Cu        18.7739450130       16.4242564994       14.5451332526
 Cu        17.4179646720       16.3457665405       16.6823837231
 Cu        17.3798098116       16.2256271394       12.4388843415
 Cu        15.8622405816       16.1631146217       18.6727309714
 Cu        13.4313989279       15.8968986404       18.0163499699
 Cu        15.8065508370       15.8934923471       10.4623763669
 Cu        14.4720305324       16.2020692595       14.5875254172
 Cu        13.3749314751       15.6718990088       11.1796577547
 Cu        10.9145371483       15.4639779689       14.6279569415
 Cu        11.0840085319       15.5330287409       17.1550045842
 Cu        11.0383500350       15.3520928019       12.0892246985
 Cu        16.5272872635       17.5952055510       14.5370626794
 Cu        15.0296180509       17.4733537936       16.6345088279
 Cu        15.0204116532       17.2560933703       12.3980904141
 Cu        12.5705338737       17.1419656789       15.8420952158
 Cu        12.5097327574       17.0291068165       13.2882840000
 Zr        14.1532782177       18.9636621493       14.3407518478
  O        13.9408517912       20.9269865503       13.9937957665
  C        13.7823438900       20.9134699139       15.3679955636
  O        13.5983866740       21.8508082298       16.1025114875
      58
 i =       10, E =     -2681.7667124787
 Zr        15.4190727292        8.7578588693       14.7831812230
 Cu        17.0235144716       10.4886272161       16.0181286157
 Cu        17.0129600014       10.4077733920       13.4306459897
 Cu        14.5745012819       10.1910830063       16.8555525230
 Cu        14.5544539003       10.0648357508       12.6426965852
 Cu        13.0345505432        9.9462327064       14.7661956186
 Cu        18.5204985528       12.1370729060       17.1895945683
 Cu        18.4896966068       11.9999492175       12.1446012281
 Cu        18.6142739944       12.0323956991       14.6677456843
 Cu        16.1786687504       11.8147685907       18.0949004981
 Cu        15.0873091019       11.3672098609       14.7164444635
 Cu        13.7652469361       11.5821484820       18.8083520179
 Cu        16.1370571293       11.6178377615       11.2955962786
 Cu        13.7061806729       11.3358789351       10.6351587587
 Cu        12.2032468526       11.2799630076       16.8460479775
 Cu        12.1730628761       11.1451563120       12.6409412354
 Cu        10.7888061151       11.0942507021       14.7624605598
 Cu        16.6642429225       12.9646259884       15.9349482915
 Cu        16.6500798068       12.8833288034       13.3854161989
 Cu        14.2649395054       12.6798244785       16.7508195858
 Cu        14.2368611978       12.5460014001       12.6271832662
 Cu        12.7652008579       12.4328239728       14.7044037988
 Cu        18.7597542951       14.2912316038       15.8978444255
 Cu        18.7390257877       14.2245838774       13.3063422078
 Cu        17.2567187555       14.1598764852       18.0223131702
 Cu        17.2153342501       13.9590070592       11.2186632805
 Cu        14.8183885918       13.8775110700       18.8516520890
 Cu        14.7773023912       13.7812025557       14.6492720382
 Cu        14.7540764544       13.6159950686       10.4437707931
 Cu        12.3586509462       13.5527287665       18.0823621161
 Cu        12.3074860861       13.3317229317       11.2842716801
 Cu        10.8325005540       13.2975582862       16.0025631959
 Cu        10.8095040232       13.2111599769       13.3950255202
 Cu        16.7979951912       15.1108735581       14.5961106768
 Cu        15.3224889613       14.9933858677       16.6798266333
 Cu        15.2971387865       14.8402046410       12.5433918124
 Cu        12.9098017392       14.6646479233       15.9161092689
 Cu        12.8914557961       14.5801180384       13.3630534489
 Cu        18.7754378951       16.4262141386       14.5447232203
 Cu        17.4164725760       16.3489911134       16.6798825436
 Cu        17.3801102422       16.2261705608       12.4396183653
 Cu        15.8611891036       16.1672829721       18.6694494554
 Cu        13.4319204463       15.8990368292       18.0144645445
 Cu        15.8077745236       15.8945763323       10.4617871360
 Cu        14.4727878340       16.2016050528       14.5850611565
 Cu        13.3751629257       15.6727153815       11.1798680547
 Cu        10.9170405519       15.4642335851       14.6294002222
 Cu        11.0849598608       15.5335933271       17.1557879412
 Cu        11.0368176042       15.3553599707       12.0920939831
 Cu        16.5266569974       17.5946260443       14.5343117619
 Cu        15.0289651214       17.4747101390       16.6312789193
 Cu        15.0200096914       17.2588235255       12.3969624315
 Cu        12.5689532652       17.1420706320       15.8406371746
 Cu        12.5116330608       17.0297070267       13.2863801962
 Zr        14.1521162588       18.9664118365       14.3475102208
  O        13.9369602749       20.9303707115       13.9984147063
  C        13.7855602497       20.9113669310       15.3736731056
  O        13.5967959482       21.8503558285       16.1019473695
      58
 i =       11, E =     -2681.7670559886
 Zr        15.4186124514        8.7594138949       14.7915211037
 Cu        17.0265539488       10.4918552911       16.0244421772
 Cu        17.0141711609       10.4078689128       13.4336465134
 Cu        14.5709157881       10.1991065251       16.8621794412
 Cu        14.5560709800       10.0633903775       12.6462343187
 Cu        13.0334169859        9.9462998679       14.7696261353
 Cu        18.5210790679       12.1453392555       17.1929146442
 Cu        18.4949446207       11.9991234749       12.1457772187
 Cu        18.6176528547       12.0344994929       14.6706808394
 Cu        16.1783542589       11.8220455907       18.0996931869
 Cu        15.0874950128       11.3674588005       14.7195290313
 Cu        13.7628510404       11.5927810295       18.8120964604
 Cu        16.1393742508       11.6159083448       11.2955253587
 Cu        13.7064120207       11.3298678375       10.6376194737
 Cu        12.2000740486       11.2913819193       16.8486899082
 Cu        12.1724878063       11.1424295369       12.6421661780
 Cu        10.7877878732       11.0954376572       14.7627893467
 Cu        16.6634228323       12.9667411003       15.9363247426
 Cu        16.6510338358       12.8813111886       13.3861365160
 Cu        14.2640069901       12.6862265612       16.7511960075
 Cu        14.2372729489       12.5416749701       12.6272777097
 Cu        12.7648495185       12.4330220128       14.7040498650
 Cu        18.7592720205       14.2979428385       15.8981222380
 Cu        18.7407038908       14.2256832165       13.3067942141
 Cu        17.2543926990       14.1669974021       18.0236425846
 Cu        17.2183408805       13.9574338822       11.2169927642
 Cu        14.8162269898       13.8893725193       18.8505273834
 Cu        14.7779624312       13.7811394733       14.6484152357
 Cu        14.7548449529       13.6092859954       10.4397084350
 Cu        12.3573958731       13.5643528352       18.0794844452
 Cu        12.3046961844       13.3271058210       11.2804870154
 Cu        10.8290558045       13.3021496789       15.9993206133
 Cu        10.8095188994       13.2103026379       13.3915504781
 Cu        16.7986331741       15.1125347459       14.5916956748
 Cu        15.3215472091       14.9997780543       16.6742035103
 Cu        15.2975850637       14.8366467093       12.5377270262
 Cu        12.9098334027       14.6696791244       15.9113255147
 Cu        12.8916457505       14.5773752866       13.3597348712
 Cu        18.7769676897       16.4303198373       14.5397977239
 Cu        17.4161134560       16.3542877219       16.6736904853
 Cu        17.3788540618       16.2266697386       12.4356683068
 Cu        15.8611506753       16.1777258728       18.6620401619
 Cu        13.4324364616       15.9098760052       18.0078530369
 Cu        15.8081526332       15.8903588759       10.4535599342
 Cu        14.4748249908       16.2021096536       14.5758577212
 Cu        13.3748861084       15.6664145409       11.1732057919
 Cu        10.9194701561       15.4668681593       14.6250107337
 Cu        11.0857816071       15.5441177471       17.1506802357
 Cu        11.0353445773       15.3545250867       12.0884165551
 Cu        16.5267537668       17.5942835481       14.5247448135
 Cu        15.0280241669       17.4815931120       16.6206800191
 Cu        15.0176336472       17.2574001591       12.3845277927
 Cu        12.5677683687       17.1474406955       15.8297950568
 Cu        12.5132429134       17.0282282683       13.2761479802
 Zr        14.1530486053       18.9658223698       14.3442010866
  O        13.9322048056       20.9364809360       14.0177852691
  C        13.7889288211       20.8924500156       15.3921936245
  O        13.5943335310       21.8189293784       16.1336830752
      58
 i =       12, E =     -2681.7668939370
 Zr        15.4176931611        8.7748271658       14.8569562345
 Cu        17.0453847376       10.5204014516       16.0708674390
 Cu        17.0248922964       10.4124727756       13.4594151139
 Cu        14.5429519915       10.2615389913       16.9105049164
 Cu        14.5745265588       10.0525840708       12.6754539992
 Cu        13.0275359982        9.9521717147       14.8005594307
 Cu        18.5243593821       12.2055891086       17.2157066387
 Cu        18.5299037142       11.9960124071       12.1539235653
 Cu        18.6399105119       12.0529826305       14.6908854481
 Cu        16.1728384109       11.8787818425       18.1321481382
 Cu        15.0890036706       11.3741236308       14.7433236022
 Cu        13.7432489409       11.6752178402       18.8393920306
 Cu        16.1581039603       11.6014370305       11.2969630132
 Cu        13.7126338201       11.2804337270       10.6570787933
 Cu        12.1744668377       11.3789825232       16.8693797432
 Cu        12.1725323949       11.1194352704       12.6540960991
 Cu        10.7814958135       11.1070715404       14.7669933946
 Cu        16.6568139065       12.9868168368       15.9461659543
 Cu        16.6581894231       12.8710585106       13.3910648892
 Cu        14.2546309330       12.7386350952       16.7550381398
 Cu        14.2411326526       12.5111250578       12.6287021245
 Cu        12.7618344019       12.4390543458       14.7017242445
 Cu        18.7565712049       14.3445441482       15.8975634714
 Cu        18.7518084826       14.2353112832       13.3057662226
 Cu        17.2387872969       14.2181964290       18.0318184782
 Cu        17.2385890361       13.9454293481       11.2027470120
 Cu        14.8003491349       13.9771825036       18.8436997479
 Cu        14.7814329726       13.7846258889       14.6409580950
 Cu        14.7606891351       13.5569191486       10.4107776006
 Cu        12.3461909571       13.6540056768       18.0596322327
 Cu        12.2883795577       13.2867480786       11.2534586890
 Cu        10.8054686208       13.3411679581       15.9743020939
 Cu        10.8094190299       13.2024652646       13.3636890484
 Cu        16.8028890462       15.1252856156       14.5590886822
 Cu        15.3144419704       15.0491659749       16.6352915113
 Cu        15.3001389370       14.8106045878       12.4955117393
 Cu        12.9087509298       14.7107928446       15.8762175005
 Cu        12.8920869354       14.5586235449       13.3330553970
 Cu        18.7868142200       16.4585906135       14.5023134103
 Cu        17.4165707287       16.3893460392       16.6305762158
 Cu        17.3686164229       16.2294173241       12.4035808293
 Cu        15.8628310068       16.2513162826       18.6112192452
 Cu        13.4355051899       15.9900752155       17.9605992271
 Cu        15.8087547023       15.8556698536       10.3903109040
 Cu        14.4884110096       16.2073689882       14.5094152406
 Cu        13.3720475785       15.6152269544       11.1202408411
 Cu        10.9334001186       15.4864254322       14.5878007364
 Cu        11.0899609502       15.6255682442       17.1097972274
 Cu        11.0262437453       15.3415271827       12.0541291618
 Cu        16.5289915419       17.5924370821       14.4561889533
 Cu        15.0226453936       17.5324119158       16.5444745540
 Cu        14.9997352579       17.2414515849       12.2897704843
 Cu        12.5610150573       17.1899495578       15.7492423828
 Cu        12.5215602224       17.0156667350       13.1998024045
 Zr        14.1626700469       18.9552783427       14.3046284744
  O        13.9018469067       20.9778531917       14.1604971799
  C        13.8105970929       20.7427687479       15.5257313238
  O        13.5768500066       21.5689293784       16.3773123071
      58
 i =       13, E =     -2681.7679625328
 Zr        15.4185611751        8.7738613122       14.8435428753
 Cu        17.0379482893       10.5155548255       16.0594153095
 Cu        17.0221086613       10.4115220234       13.4558604120
 Cu        14.5511973966       10.2466997595       16.8982940780
 Cu        14.5694179071       10.0551970258       12.6708027733
 Cu        13.0300652259        9.9538874272       14.7950523175
 Cu        18.5216124922       12.1927052979       17.2113797628
 Cu        18.5172905245       11.9968169792       12.1552743232
 Cu        18.6313224814       12.0511912997       14.6879371485
 Cu        16.1732880396       11.8684824037       18.1232378629
 Cu        15.0891938715       11.3734077085       14.7376653995
 Cu        13.7488775145       11.6600577852       18.8309069225
 Cu        16.1524487047       11.6050491603       11.2987824358
 Cu        13.7111525188       11.2937542607       10.6521145849
 Cu        12.1812872889       11.3571213034       16.8650551218
 Cu        12.1720797902       11.1267681601       12.6512182286
 Cu        10.7836300624       11.1061515933       14.7670056895
 Cu        16.6585668430       12.9828777270       15.9434761329
 Cu        16.6564760691       12.8735010500       13.3902779076
 Cu        14.2577988466       12.7259128193       16.7528794970
 Cu        14.2404471532       12.5194373309       12.6285041697
 Cu        12.7635334354       12.4379370820       14.7018317218
 Cu        18.7560495801       14.3338691942       15.8979093281
 Cu        18.7486524625       14.2319445223       13.3059997228
 Cu        17.2407639527       14.2086143649       18.0264976810
 Cu        17.2328684649       13.9469012331       11.2083878147
 Cu        14.8039012797       13.9583430568       18.8422649371
 Cu        14.7809716651       13.7841278465       14.6402208241
 Cu        14.7593759595       13.5695926673       10.4202912380
 Cu        12.3498770869       13.6333166413       18.0628133364
 Cu        12.2957590122       13.2972367790       11.2621196823
 Cu        10.8148954049       13.3331842675       15.9789476870
 Cu        10.8099124701       13.2049089659       13.3718262283
 Cu        16.8014571668       15.1207330018       14.5662996070
 Cu        15.3164538145       15.0374151142       16.6428875949
 Cu        15.2995372914       14.8158452890       12.5069269290
 Cu        12.9103811969       14.6993885542       15.8836713112
 Cu        12.8930161533       14.5627314832       13.3387044136
 Cu        18.7815896300       16.4499435604       14.5095046795
 Cu        17.4147906460       16.3820507523       16.6385093061
 Cu        17.3704510895       16.2268359092       12.4098459507
 Cu        15.8613091807       16.2356636381       18.6212176577
 Cu        13.4349848692       15.9718595611       17.9681781825
 Cu        15.8087348676       15.8595509659       10.4085280323
 Cu        14.4850144583       16.2051132132       14.5244103054
 Cu        13.3732832734       15.6277158914       11.1334162395
 Cu        10.9305496182       15.4828896971       14.5937398593
 Cu        11.0897635478       15.6048688122       17.1155879006
 Cu        11.0319260933       15.3430707738       12.0613812714
 Cu        16.5281004389       17.5941048235       14.4701055730
 Cu        15.0239532863       17.5194302534       16.5597091673
 Cu        15.0039400561       17.2423169571       12.3142233034
 Cu        12.5644079536       17.1770338684       15.7651339543
 Cu        12.5216815760       17.0180855788       13.2168399251
 Zr        14.1601747611       18.9632628069       14.3034485909
  O        13.9086513480       20.9692995749       14.1414947832
  C        13.7985185267       20.7843265790       15.5060517991
  O        13.5853404256       21.6338157292       16.3291883961
      58
 i =       14, E =     -2681.7686421558
 Zr        15.4192140078        8.7788878903       14.8533927511
 Cu        17.0350326383       10.5210665240       16.0628541202
 Cu        17.0224996028       10.4114593115       13.4628501422
 Cu        14.5520031283       10.2512845120       16.9024355052
 Cu        14.5691800390       10.0533708622       12.6776316763
 Cu        13.0310188413        9.9595763278       14.8010523510
 Cu        18.5185455098       12.1987471808       17.2165066306
 Cu        18.5135728861       11.9952222643       12.1616391686
 Cu        18.6281009052       12.0561560232       14.6928607755
 Cu        16.1705562630       11.8791074182       18.1240999705
 Cu        15.0901119169       11.3759037847       14.7400402901
 Cu        13.7478523594       11.6742334065       18.8306597162
 Cu        16.1528328397       11.6014666015       11.3026989972
 Cu        13.7124119806       11.2904054305       10.6533088365
 Cu        12.1800801944       11.3625075187       16.8682619998
 Cu        12.1719198130       11.1268498647       12.6529178250
 Cu        10.7838289515       11.1098900720       14.7699612810
 Cu        16.6587338845       12.9871542117       15.9436951284
 Cu        16.6570144665       12.8731551651       13.3906209938
 Cu        14.2582820374       12.7296621277       16.7515997849
 Cu        14.2412410935       12.5185111390       12.6283190156
 Cu        12.7644849851       12.4400090277       14.7015960757
 Cu        18.7548084965       14.3380656833       15.8977087000
 Cu        18.7491267648       14.2306835968       13.3054658010
 Cu        17.2373865005       14.2195303684       18.0218700826
 Cu        17.2335076836       13.9418567153       11.2098618268
 Cu        14.8021404215       13.9708306513       18.8364980865
 Cu        14.7816029434       13.7856970046       14.6355593970
 Cu        14.7600036903       13.5641946723       10.4217310641
 Cu        12.3500238534       13.6428876130       18.0591203727
 Cu        12.2996884123       13.2942819144       11.2622248721
 Cu        10.8192266259       13.3396652484       15.9743059884
 Cu        10.8101608545       13.2048968156       13.3716665868
 Cu        16.8013982432       15.1202556389       14.5623906513
 Cu        15.3170704578       15.0423942110       16.6371041019
 Cu        15.2998367577       14.8130599051       12.5048582439
 Cu        12.9124153346       14.7016267581       15.8785496698
 Cu        12.8944062774       14.5614286603       13.3336017329
 Cu        18.7785999882       16.4495017309       14.5024065370
 Cu        17.4122005828       16.3884764295       16.6299711472
 Cu        17.3697734502       16.2240503331       12.4036038005
 Cu        15.8591271462       16.2493381621       18.6132401704
 Cu        13.4347192527       15.9820647092       17.9570307348
 Cu        15.8101099299       15.8483773429       10.4083336813
 Cu        14.4853162816       16.2058464260       14.5168373095
 Cu        13.3738723543       15.6239754781       11.1284866068
 Cu        10.9315822391       15.4872158275       14.5837214998
 Cu        11.0906634982       15.6102185812       17.1037164953
 Cu        11.0355965878       15.3392014303       12.0554846641
 Cu        16.5277235834       17.5975588517       14.4602264101
 Cu        15.0238073628       17.5236277248       16.5477820373
 Cu        15.0022829221       17.2386363259       12.3086363320
 Cu        12.5661365553       17.1779586420       15.7519875844
 Cu        12.5258620208       17.0179573388       13.2071322372
 Zr        14.1597761000       18.9731928595       14.2877621250
  O        13.9085686094       20.9786271833       14.1751997164
  C        13.7925732205       20.7820298403       15.5345432637
  O        13.5904306371       21.6164031282       16.3767937981
      58
 i =       15, E =     -2681.7684303590
 Zr        15.4221506117        8.8038937728       14.9085402370
 Cu        17.0254261116       10.5510499415       16.0866322181
 Cu        17.0264412506       10.4128182659       13.4984984930
 Cu        14.5498884833       10.2835995267       16.9290364195
 Cu        14.5727282885       10.0436185435       12.7130828986
 Cu        13.0344453926        9.9858281309       14.8336152658
 Cu        18.5056915439       12.2364722095       17.2422979028
 Cu        18.5039212041       11.9881770101       12.1902735600
 Cu        18.6179865582       12.0813902467       14.7175266332
 Cu        16.1573514291       11.9361610645       18.1336029242
 Cu        15.0942803660       11.3888118388       14.7549683428
 Cu        13.7393708776       11.7513820723       18.8345105374
 Cu        16.1582177546       11.5832363853       11.3202246316
 Cu        13.7196402604       11.2659313174       10.6624833021
 Cu        12.1699616511       11.4025224594       16.8859206725
 Cu        12.1720734854       11.1224182712       12.6631433679
 Cu        10.7838055659       11.1286549522       14.7837564408
 Cu        16.6579888309       13.0102432860       15.9464539365
 Cu        16.6606883318       12.8705276268       13.3930391706
 Cu        14.2581380367       12.7569437913       16.7469237376
 Cu        14.2455967920       12.5090751621       12.6280191749
 Cu        12.7679273141       12.4508993927       14.7002519996
 Cu        18.7490623759       14.3645039253       15.8961252301
 Cu        18.7529526233       14.2273514186       13.3022588472
 Cu        17.2204135472       14.2759245180       18.0031859676
 Cu        17.2395241602       13.9177621388       11.2131984250
 Cu        14.7916597291       14.0406406832       18.8108345836
 Cu        14.7846915134       13.7939862109       14.6140406044
 Cu        14.7638466550       13.5308166493       10.4225773182
 Cu        12.3482685017       13.7013408999       18.0394158994
 Cu        12.3141701620       13.2729114170       11.2577907309
 Cu        10.8333194350       13.3757248385       15.9497052315
 Cu        10.8113600290       13.2031385452       13.3654252241
 Cu        16.8017691719       15.1209327602       14.5396970341
 Cu        15.3181677840       15.0735155716       16.6054713171
 Cu        15.3014761299       14.7963525350       12.4880598812
 Cu        12.9205074851       14.7197875942       15.8498922505
 Cu        12.9004162889       14.5526784136       13.3062503533
 Cu        18.7673385163       16.4527617665       14.4649260238
 Cu        17.4018029633       16.4221984708       16.5859790469
 Cu        17.3647287933       16.2122121798       12.3702895499
 Cu        15.8501496423       16.3205817365       18.5700470948
 Cu        13.4339947846       16.0408291041       17.9007289487
 Cu        15.8156530115       15.7935399478       10.3947787138
 Cu        14.4887063781       16.2106094181       14.4720010066
 Cu        13.3758652568       15.5975342477       11.0965040473
 Cu        10.9381535856       15.5092395699       14.5328919811
 Cu        11.0948486357       15.6492319440       17.0449893590
 Cu        11.0500924546       15.3188941885       12.0223130491
 Cu        16.5266041144       17.6122870987       14.4047957052
 Cu        15.0226315705       17.5513963257       16.4826168822
 Cu        14.9918845383       17.2191201542       12.2664613951
 Cu        12.5725719285       17.1905135051       15.6804071555
 Cu        12.5447380608       17.0150241604       13.1506484281
 Zr        14.1601594936       19.0133733859       14.2111231772
  O        13.9022331678       21.0265744619       14.3511604398
  C        13.7701260152       20.7412486600       15.6850824461
  O        13.6091618024       21.4924973010       16.6267937981
      58
 i =       16, E =     -2681.7697532109
 Zr        15.4193828672        8.7915961295       14.8847682203
 Cu        17.0282881956       10.5398964813       16.0766599433
 Cu        17.0230540192       10.4108114295       13.4858039382
 Cu        14.5537811111       10.2695678886       16.9177461906
 Cu        14.5689622012       10.0468145980       12.6992465600
 Cu        13.0329199320        9.9758277283       14.8194923157
 Cu        18.5092611158       12.2204050132       17.2321883376
 Cu        18.5084883778       11.9869121488       12.1802868027
 Cu        18.6197178551       12.0679665909       14.7068722261
 Cu        16.1615549467       11.9136220269       18.1289211450
 Cu        15.0919240503       11.3859436206       14.7493244662
 Cu        13.7413660288       11.7183474742       18.8314117443
 Cu        16.1567579363       11.5839071358       11.3158052418
 Cu        13.7177375217       11.2737919561       10.6591591177
 Cu        12.1774081798       11.3792223586       16.8779303312
 Cu        12.1747226971       11.1230858477       12.6620980966
 Cu        10.7842948888       11.1210970485       14.7807521219
 Cu        16.6587210858       13.0051523915       15.9441349437
 Cu        16.6581228624       12.8737129903       13.3900924901
 Cu        14.2583882544       12.7465505857       16.7488111951
 Cu        14.2447190048       12.5150842549       12.6272013060
 Cu        12.7659891315       12.4500803425       14.7035744659
 Cu        18.7523063846       14.3520390331       15.8935380248
 Cu        18.7510037841       14.2271565608       13.3027438212
 Cu        17.2304550850       14.2580177904       18.0087169246
 Cu        17.2356470487       13.9226945423       11.2101797930
 Cu        14.7962581581       14.0111287872       18.8211277167
 Cu        14.7825975835       13.7932402644       14.6227878293
 Cu        14.7626416274       13.5441449029       10.4229524798
 Cu        12.3483174166       13.6754771627       18.0467403621
 Cu        12.3085119219       13.2804166094       11.2589200339
 Cu        10.8275964391       13.3621392167       15.9610131709
 Cu        10.8116461237       13.2036151652       13.3695786119
 Cu        16.8008186659       15.1233990323       14.5500524612
 Cu        15.3185394278       15.0609906302       16.6197933133
 Cu        15.3007344008       14.8079091191       12.4956260625
 Cu        12.9157687779       14.7148899025       15.8596267980
 Cu        12.8986119416       14.5592742096       13.3137035365
 Cu        18.7729689843       16.4505183126       14.4797495069
 Cu        17.4058283150       16.4148763524       16.6023240139
 Cu        17.3700465086       16.2144868310       12.3816511658
 Cu        15.8507766006       16.2950791984       18.5857162206
 Cu        13.4322183135       16.0168081214       17.9219173596
 Cu        15.8159456463       15.8159127806       10.4003803414
 Cu        14.4832678719       16.2129672829       14.4917407741
 Cu        13.3758646088       15.6106073463       11.1073582950
 Cu        10.9336896277       15.4995780721       14.5507260440
 Cu        11.0907763372       15.6319638438       17.0679921240
 Cu        11.0432212336       15.3265832576       12.0344900489
 Cu        16.5268964509       17.6096289528       14.4250009662
 Cu        15.0256300648       17.5426860772       16.5106817027
 Cu        14.9981045670       17.2342380978       12.2874554338
 Cu        12.5680612409       17.1879063559       15.7121454239
 Cu        12.5369206734       17.0211741545       13.1714258423
 Zr        14.1578688174       18.9957983187       14.2601716046
  O        13.9073881802       20.9964912551       14.2812128055
  C        13.7835947975       20.7564737426       15.6241096354
  O        13.6017088329       21.5420481447       16.5191313388
      58
 i =       17, E =     -2681.7700448602
 Zr        15.4181959991        8.7929058825       14.8903699312
 Cu        17.0274949093       10.5443296252       16.0806821122
 Cu        17.0222829337       10.4098060918       13.4915537735
 Cu        14.5551363192       10.2739173645       16.9210834872
 Cu        14.5683087683       10.0450715886       12.7035555378
 Cu        13.0328049369        9.9777142002       14.8231710238
 Cu        18.5077002193       12.2253127501       17.2343303474
 Cu        18.5095224428       11.9821013278       12.1832899907
 Cu        18.6184134109       12.0679622332       14.7086556094
 Cu        16.1595849393       11.9204626140       18.1303618653
 Cu        15.0915475313       11.3892099533       14.7516458137
 Cu        13.7388373710       11.7251540878       18.8318192224
 Cu        16.1580790615       11.5761135452       11.3194958005
 Cu        13.7191357879       11.2682077814       10.6612166194
 Cu        12.1783796710       11.3798928226       16.8790649255
 Cu        12.1766390079       11.1207603193       12.6659083421
 Cu        10.7844088426       11.1229405791       14.7837000233
 Cu        16.6585858437       13.0116589678       15.9439735688
 Cu        16.6578564660       12.8748989083       13.3891812481
 Cu        14.2579195480       12.7518974056       16.7487984771
 Cu        14.2456716260       12.5149854812       12.6267036542
 Cu        12.7656122015       12.4538482566       14.7050959923
 Cu        18.7524279045       14.3547886729       15.8909080399
 Cu        18.7511374318       14.2257686107       13.3013513145
 Cu        17.2312006823       14.2676995324       18.0061065360
 Cu        17.2352827081       13.9161259315       11.2081284580
 Cu        14.7951707631       14.0197842355       18.8194252272
 Cu        14.7820327691       13.7965038288       14.6211976158
 Cu        14.7640415281       13.5396402877       10.4226052740
 Cu        12.3474138752       13.6821497787       18.0437398714
 Cu        12.3092737240       13.2762450976       11.2567370371
 Cu        10.8271088057       13.3666696836       15.9598171806
 Cu        10.8122726541       13.2034336908       13.3689543638
 Cu        16.8005386465       15.1265912740       14.5480431372
 Cu        15.3185247597       15.0660852992       16.6177873923
 Cu        15.3011743705       14.8099396325       12.4931027248
 Cu        12.9145829760       14.7197827007       15.8547214970
 Cu        12.8992047328       14.5607935889       13.3078875226
 Cu        18.7736131065       16.4514548626       14.4749452401
 Cu        17.4054149431       16.4243271818       16.5965782790
 Cu        17.3722810714       16.2115130229       12.3756832861
 Cu        15.8484305603       16.3068467334       18.5791506462
 Cu        13.4300626486       16.0248377639       17.9145890432
 Cu        15.8182549507       15.8133438656       10.3963005955
 Cu        14.4811649148       16.2169085150       14.4879919425
 Cu        13.3772122355       15.6084149966       11.1009075880
 Cu        10.9325918285       15.5012521657       14.5439149623
 Cu        11.0885075524       15.6370220198       17.0617620209
 Cu        11.0431541171       15.3240296415       12.0286999508
 Cu        16.5272784160       17.6134860911       14.4176369619
 Cu        15.0268593889       17.5495035315       16.5047862274
 Cu        14.9991294169       17.2376774649       12.2844232533
 Cu        12.5660452102       17.1927174411       15.7055769319
 Cu        12.5379313583       17.0238385422       13.1621735207
 Zr        14.1570903813       18.9954392138       14.2618105959
  O        13.9071891731       20.9959621035       14.2981869985
  C        13.7861253858       20.7459895151       15.6392748131
  O        13.6018322659       21.5217040137       16.5429964818
      58
 i =       18, E =     -2681.7704241949
 Zr        15.4144014513        8.7913796637       14.8920854572
 Cu        17.0251146782       10.5500076293       16.0850595227
 Cu        17.0188657055       10.4073995813       13.4997462713
 Cu        14.5606446751       10.2782682458       16.9232629625
 Cu        14.5658405121       10.0433210272       12.7077438905
 Cu        13.0324792533        9.9777124659       14.8266941732
 Cu        18.5052985400       12.2303942433       17.2330355631
 Cu        18.5108938415       11.9700743217       12.1847829057
 Cu        18.6157036184       12.0621641988       14.7077275089
 Cu        16.1576215068       11.9268775272       18.1300995864
 Cu        15.0893522029       11.3960714866       14.7540496297
 Cu        13.7354700632       11.7254963994       18.8315245938
 Cu        16.1588797697       11.5591379017       11.3269914442
 Cu        13.7216495238       11.2593300565       10.6652474048
 Cu        12.1849335722       11.3703884920       16.8769980871
 Cu        12.1821024951       11.1166322505       12.6741906850
 Cu        10.7855222949       11.1241442527       14.7883806573
 Cu        16.6581867091       13.0251625433       15.9422038730
 Cu        16.6557044373       12.8798486822       13.3864713641
 Cu        14.2566357601       12.7606291328       16.7491995163
 Cu        14.2471687234       12.5184427360       12.6261891730
 Cu        12.7641476555       12.4624216699       14.7089084432
 Cu        18.7537794109       14.3552015161       15.8833009950
 Cu        18.7493108998       14.2218090302       13.2972554567
 Cu        17.2375547323       14.2806875575       18.0014040511
 Cu        17.2311237751       13.9030687749       11.2020048238
 Cu        14.7948389334       14.0253636293       18.8200374561
 Cu        14.7794351151       13.8050532118       14.6214857806
 Cu        14.7674707461       13.5364000082       10.4234760987
 Cu        12.3455962865       13.6844225091       18.0398097548
 Cu        12.3105657683       13.2702697682       11.2534665582
 Cu        10.8241030156       13.3697348782       15.9630470306
 Cu        10.8142999460       13.2041077741       13.3686818103
 Cu        16.7993079702       15.1356063894       14.5481035221
 Cu        15.3175744758       15.0729400777       16.6204384362
 Cu        15.3021244622       14.8204429215       12.4916014978
 Cu        12.9088804272       14.7286819793       15.8486339372
 Cu        12.8995327749       14.5681957283       13.2991183572
 Cu        18.7773562461       16.4520444246       14.4706229425
 Cu        17.4066857432       16.4409731171       16.5918416768
 Cu        17.3802250430       16.2045286487       12.3672442043
 Cu        15.8439807063       16.3176648796       18.5732162697
 Cu        13.4233477823       16.0301106013       17.9091619015
 Cu        15.8229993119       15.8201973419       10.3902165059
 Cu        14.4741458234       16.2273170721       14.4905986402
 Cu        13.3814470545       15.6095326470       11.0927108880
 Cu        10.9266667139       15.4996260722       14.5369996051
 Cu        11.0800300689       15.6392256732       17.0588710052
 Cu        11.0414059771       15.3209291721       12.0192134474
 Cu        16.5287310265       17.6210503075       14.4110984654
 Cu        15.0302068657       17.5607099866       16.5072506039
 Cu        15.0064347726       17.2502049188       12.2880017316
 Cu        12.5588399359       17.2018843144       15.7066362756
 Cu        12.5349924751       17.0314967884       13.1527405663
 Zr        14.1560877608       18.9830882930       14.2757259043
  O        13.9152551355       20.9880190376       14.3040014649
  C        13.7971939737       20.7262456063       15.6456746133
  O        13.5998967944       21.5032874052       16.5416249374
      58
 i =       19, E =     -2681.7707417469
 Zr        15.4128148506        8.7934456478       14.9009099957
 Cu        17.0221064610       10.5566436646       16.0912602992
 Cu        17.0174364088       10.4064635785       13.5080218495
 Cu        14.5630616136       10.2860400434       16.9294415288
 Cu        14.5650111261       10.0418014931       12.7144240538
 Cu        13.0324209698        9.9798643501       14.8342732480
 Cu        18.5034797948       12.2410338034       17.2347219081
 Cu        18.5082098753       11.9623341392       12.1879234673
 Cu        18.6145088804       12.0637661893       14.7113169761
 Cu        16.1574323689       11.9400074245       18.1314614847
 Cu        15.0883053558       11.4001147707       14.7565590970
 Cu        13.7355414798       11.7369725491       18.8334694754
 Cu        16.1575965738       11.5514197339       11.3331680911
 Cu        13.7226110305       11.2526891095       10.6694239940
 Cu        12.1878756681       11.3731944397       16.8771128490
 Cu        12.1824083447       11.1161232435       12.6779881033
 Cu        10.7858730175       11.1273936133       14.7904166338
 Cu        16.6572997485       13.0341746861       15.9419046250
 Cu        16.6551738955       12.8806099699       13.3875862058
 Cu        14.2561428619       12.7693385780       16.7479868441
 Cu        14.2472273104       12.5185143249       12.6272485237
 Cu        12.7643342185       12.4662763595       14.7080735439
 Cu        18.7528165713       14.3605508796       15.8802453238
 Cu        18.7481632909       14.2183146747       13.2945602856
 Cu        17.2371718899       14.2940998038       17.9957477035
 Cu        17.2297016173       13.8944234861       11.2000421939
 Cu        14.7932375978       14.0377821324       18.8153562691
 Cu        14.7786318590       13.8104650899       14.6189753138
 Cu        14.7704056849       13.5313591273       10.4247075815
 Cu        12.3443262040       13.6920338894       18.0352273750
 Cu        12.3140339594       13.2662603484       11.2516484527
 Cu        10.8244793377       13.3730049018       15.9622415210
 Cu        10.8155385449       13.2057765556       13.3664479664
 Cu        16.7991231677       15.1403206709       14.5433867050
 Cu        15.3150061678       15.0833513276       16.6158530240
 Cu        15.3037867142       14.8223105487       12.4885721935
 Cu        12.9067479780       14.7346372675       15.8427506781
 Cu        12.8999109772       14.5706428641       13.2941788825
 Cu        18.7778626479       16.4536192228       14.4627500557
 Cu        17.4049475608       16.4511329878       16.5827090753
 Cu        17.3838887446       16.1990573936       12.3593473304
 Cu        15.8411958288       16.3287306446       18.5653757765
 Cu        13.4187756820       16.0386470005       17.9007022860
 Cu        15.8253823199       15.8188573820       10.3848849644
 Cu        14.4734789281       16.2327280865       14.4861544406
 Cu        13.3857387727       15.6072857116       11.0883282688
 Cu        10.9243488225       15.5008272530       14.5285834306
 Cu        11.0752483152       15.6439274851       17.0502949213
 Cu        11.0437026280       15.3176462512       12.0096607073
 Cu        16.5289167667       17.6264760580       14.3995337314
 Cu        15.0285456217       17.5714696449       16.5019890822
 Cu        15.0114472010       17.2526967155       12.2826339237
 Cu        12.5549183420       17.2069996214       15.6981714364
 Cu        12.5355298618       17.0335401154       13.1437182594
 Zr        14.1556397412       18.9828717075       14.2733680246
  O        13.9252567604       20.9910178414       14.3260707870
  C        13.8036171644       20.7081528544       15.6645028568
  O        13.5996870895       21.4778201083       16.5648777078
      58
 i =       20, E =     -2681.7376205340
 Zr        15.4177572828        8.8076949824       14.9299628088
 Cu        17.0499917640       10.5538106011       16.1012804380
 Cu        17.0270694502       10.4125386451       13.4863530579
 Cu        14.5388993613       10.2952884554       16.9495333283
 Cu        14.5631889851       10.0366933979       12.7237024868
 Cu        13.0229456303        9.9927081017       14.8149069856
 Cu        18.5161741370       12.2268734327       17.2449393900
 Cu        18.5426924872       12.0014164308       12.1919493461
 Cu        18.6239725344       12.0727750042       14.7034750247
 Cu        16.1539712559       11.9615360762       18.1587571555
 Cu        15.0878183120       11.3915553930       14.7655987866
 Cu        13.7277898275       11.7717761403       18.8230727015
 Cu        16.1760847793       11.5745211167       11.3095120606
 Cu        13.7262404236       11.2529633246       10.6779113831
 Cu        12.1601370291       11.4178057459       16.9042093722
 Cu        12.1825716036       11.1066854804       12.6688671931
 Cu        10.7772342005       11.1273790676       14.7888737794
 Cu        16.6477565164       12.9873197683       15.9381326841
 Cu        16.6527561223       12.8660981045       13.3892357296
 Cu        14.2507784571       12.7468216475       16.7501620643
 Cu        14.2533519546       12.4980448994       12.6255089581
 Cu        12.7618510901       12.4570108405       14.7168910808
 Cu        18.7621575058       14.3841042884       15.8775022089
 Cu        18.7703357799       14.2415327217       13.3084474777
 Cu        17.2309929717       14.2949500259       18.0208785042
 Cu        17.2499138239       13.9379364489       11.1981586743
 Cu        14.7909878010       14.0376623406       18.8214996855
 Cu        14.7889388443       13.7860253976       14.6277636936
 Cu        14.7549198619       13.5144017053       10.3908155463
 Cu        12.3286664723       13.7148205065       18.0543308553
 Cu        12.2837098404       13.2682554297       11.2341444443
 Cu        10.8066389398       13.3777549936       15.9355054499
 Cu        10.8060999601       13.1893288235       13.3633521784
 Cu        16.7990107217       15.1374931965       14.5334090356
 Cu        15.3274790951       15.0768715005       16.5875420150
 Cu        15.2943548640       14.7897136728       12.4722088948
 Cu        12.9161993167       14.7399536370       15.8493807945
 Cu        12.9026869400       14.5516989090       13.3020758017
 Cu        18.7901424165       16.4707197690       14.4469788148
 Cu        17.4013118253       16.4428831434       16.5762415589
 Cu        17.3762994911       16.2287899933       12.3715012408
 Cu        15.8478202179       16.3691701731       18.5990743733
 Cu        13.4318924142       16.0602086262       17.9183911533
 Cu        15.8235788334       15.7613027192       10.3842794032
 Cu        14.4856231560       16.2054407802       14.4524962293
 Cu        13.3646984101       15.6100977202       11.0730854318
 Cu        10.9395501110       15.5117894807       14.5121759071
 Cu        11.0838387131       15.6603559889       17.0406077431
 Cu        11.0262218002       15.3281216831       12.0180203227
 Cu        16.5354734164       17.5861085345       14.3997866332
 Cu        15.0226468290       17.5454854145       16.4629539486
 Cu        14.9936749710       17.2297268183       12.2524663545
 Cu        12.5484797495       17.1978649684       15.6872746748
 Cu        12.5399246440       17.0117606214       13.1358270154
 Zr        14.1636715535       19.0924595748       14.2527881287
  O        13.8296374397       20.9569475518       14.3859441198
  C        13.7736806223       20.7815739469       15.6667906491
  O        13.6084574131       21.3414228101       16.8148777078
      58
 i =       21, E =     -2681.7699481309
 Zr        15.3932462890        8.8164200952       15.0000421444
 Cu        16.9932940026       10.6306222826       16.1615950882
 Cu        17.0002237109       10.3966300161       13.5951431478
 Cu        14.5892451133       10.3736138347       17.0017879544
 Cu        14.5506010090       10.0256725004       12.7916568823
 Cu        13.0293410868       10.0046635843       14.9113891508
 Cu        18.4855817296       12.3547635646       17.2503303045
 Cu        18.4840313437       11.8786481507       12.2214321786
 Cu        18.6012824235       12.0776055773       14.7455857278
 Cu        16.1566052286       12.0929563466       18.1511370565
 Cu        15.0732499083       11.4463103116       14.7858140327
 Cu        13.7376252901       11.8642315465       18.8491631215
 Cu        16.1437760898       11.4659024635       11.3999537888
 Cu        13.7342414299       11.1802953004       10.7219572208
 Cu        12.2230910830       11.4043776910       16.8804178143
 Cu        12.1882294691       11.1095845445       12.7206850458
 Cu        10.7892323745       11.1630191337       14.8120663514
 Cu        16.6421177963       13.1242731017       15.9337759388
 Cu        16.6443698498       12.8875127629       13.4013355152
 Cu        14.2490789882       12.8595501136       16.7338403994
 Cu        14.2499389708       12.5184658771       12.6406527475
 Cu        12.7656908355       12.5099006754       14.7019157512
 Cu        18.7468362022       14.4254477823       15.8393160929
 Cu        18.7381285648       14.1812733312       13.2662415050
 Cu        17.2358769318       14.4450480684       17.9367691610
 Cu        17.2129118532       13.8063820495       11.1737725239
 Cu        14.7764881009       14.1662784549       18.7666661452
 Cu        14.7710309180       13.8694602590       14.5967876218
 Cu        14.8014929202       13.4761176972       10.4323411432
 Cu        12.3260788184       13.7714557163       17.9888803422
 Cu        12.3463511160       13.2249871117       11.2274076749
 Cu        10.8215624891       13.4024763067       15.9517990310
 Cu        10.8289450280       13.2222463480       13.3422641390
 Cu        16.7947443773       15.1998613865       14.4907000220
 Cu        15.2870837737       15.1990602425       16.5587278037
 Cu        15.3208260825       14.8430005229       12.4538985975
 Cu        12.8801431316       14.8045956950       15.7801837378
 Cu        12.9053913512       14.6001923328       13.2439683185
 Cu        18.7899426502       16.4749665081       14.3717611396
 Cu        17.3848857875       16.5644097203       16.4817216898
 Cu        17.4307362170       16.1409225319       12.2758625895
 Cu        15.8094746975       16.4575448842       18.4944316489
 Cu        13.3656061310       16.1312556147       17.8176759723
 Cu        15.8535463994       15.8008991254       10.3288415830
 Cu        14.4662091346       16.2906818962       14.4370236753
 Cu        13.4328705124       15.5919700512       11.0397091352
 Cu        10.8971607309       15.5121955819       14.4323909541
 Cu        11.0161239691       15.6913261354       16.9588870927
 Cu        11.0647388946       15.2855505174       11.9024252965
 Cu        16.5345264048       17.6770824194       14.2752814038
 Cu        15.0082825781       17.6865949589       16.4458390092
 Cu        15.0737213514       17.2826157356       12.2258711659
 Cu        12.5011549291       17.2610948377       15.6136915504
 Cu        12.5377083824       17.0530456282       13.0470978849
 Zr        14.1508216526       19.0150912386       14.2541561505
  O        14.0302018368       21.0099568213       14.5714823305
  C        13.8788715208       20.5315739469       15.8524265065
  O        13.5971614312       21.1460698903       16.8865303806
      58
 i =       22, E =     -2681.7712418487
 Zr        15.4123792972        8.8063704835       14.9324970706
 Cu        17.0192860188       10.5737419693       16.1081321439
 Cu        17.0164851108       10.4081870796       13.5250114147
 Cu        14.5623634923       10.3086587142       16.9485556078
 Cu        14.5651270974       10.0391613312       12.7340850837
 Cu        13.0314331190        9.9905239651       14.8507666005
 Cu        18.5017200624       12.2684771820       17.2397333979
 Cu        18.5031537662       11.9552701059       12.1971938233
 Cu        18.6116090258       12.0744642571       14.7205337655
 Cu        16.1570519051       11.9773099075       18.1382944404
 Cu        15.0861767197       11.4075732477       14.7649161272
 Cu        13.7374723246       11.7744135473       18.8373262641
 Cu        16.1563628918       11.5442167069       11.3421815117
 Cu        13.7253893213       11.2401925223       10.6797966203
 Cu        12.1876912277       11.3972525114       16.8840956214
 Cu        12.1812760838       11.1158432184       12.6815396656
 Cu        10.7861846624       11.1359518298       14.7933772610
 Cu        16.6528352065       13.0456171668       15.9408895202
 Cu        16.6537412991       12.8785317221       13.3923260925
 Cu        14.2540329572       12.7880560957       16.7453198369
 Cu        14.2478754574       12.5141521968       12.6307146041
 Cu        12.7650067513       12.4723885523       14.7049282941
 Cu        18.7504852669       14.3798252688       15.8730879596
 Cu        18.7491255493       14.2149057363       13.2899372192
 Cu        17.2309912862       14.3234718336       17.9858972203
 Cu        17.2308618843       13.8852389399       11.1984090721
 Cu        14.7883292588       14.0703337346       18.8038430720
 Cu        14.7790942348       13.8181239857       14.6126119166
 Cu        14.7737393353       13.5166647312       10.4219839522
 Cu        12.3389953462       13.7164183399       18.0273258355
 Cu        12.3205433772       13.2592615658       11.2480688661
 Cu        10.8243811966       13.3824624194       15.9520869345
 Cu        10.8166490900       13.2069089538       13.3571765284
 Cu        16.7985885617       15.1480999892       14.5278044039
 Cu        15.3100619880       15.1089275157       16.5969226807
 Cu        15.3057519868       14.8155983480       12.4784608401
 Cu        12.9048285799       14.7485592992       15.8311890243
 Cu        12.9014861604       14.5710584373       13.2870302474
 Cu        18.7782931564       16.4598384202       14.4406240635
 Cu        17.3993642042       16.4677328532       16.5610645763
 Cu        17.3889432197       16.1931078491       12.3431884729
 Cu        15.8370660405       16.3572072599       18.5529519791
 Cu        13.4116717023       16.0623626278       17.8844478672
 Cu        15.8282348223       15.8007274307       10.3754762698
 Cu        14.4768519269       16.2389784420       14.4662124977
 Cu        13.3918244102       15.6012133555       11.0767663131
 Cu        10.9228236417       15.5063537881       14.5070310511
 Cu        11.0681428694       15.6595075228       17.0280528144
 Cu        11.0518648563       15.3131660814       11.9895265929
 Cu        16.5308998606       17.6303296327       14.3741459504
 Cu        15.0183314540       17.5922240823       16.4799414369
 Cu        15.0188809083       17.2466234552       12.2585245230
 Cu        12.5460570257       17.2143911159       15.6705312743
 Cu        12.5373596458       17.0304194121       13.1237164200
 Zr        14.1606073414       18.9912888203       14.2380796070
  O        13.9406562025       20.9857802825       14.4113668843
  C        13.8035271059       20.6587481490       15.7310638080
  O        13.6182678163       21.3960698903       16.6507877003
      58
 i =       23, E =     -2681.7724231488
 Zr        15.4056205204        8.8154680436       14.9694184333
 Cu        17.0099670863       10.6002701362       16.1338401938
 Cu        17.0103147420       10.4050114859       13.5559313581
 Cu        14.5708062406       10.3406862749       16.9749067612
 Cu        14.5603856845       10.0336613474       12.7617252707
 Cu        13.0300102111        9.9992067000       14.8781200280
 Cu        18.4963026808       12.3106247291       17.2446373287
 Cu        18.4956260761       11.9264035770       12.2088932968
 Cu        18.6076560006       12.0800371496       14.7325693808
 Cu        16.1570860033       12.0312402499       18.1461744230
 Cu        15.0808595853       11.4238225817       14.7757209358
 Cu        13.7378387478       11.8197085750       18.8441597925
 Cu        16.1517967565       11.5145833613       11.3654809281
 Cu        13.7294419223       11.2145591144       10.6981591189
 Cu        12.1986962326       11.4104450421       16.8859677817
 Cu        12.1830747138       11.1134230268       12.6962943035
 Cu        10.7870753331       11.1486310874       14.8008870674
 Cu        16.6476046883       13.0781838341       15.9385322366
 Cu        16.6503482060       12.8809548686       13.3971133692
 Cu        14.2512112922       12.8214194504       16.7409312514
 Cu        14.2485804287       12.5139538609       12.6353933349
 Cu        12.7651056910       12.4879537485       14.7027928772
 Cu        18.7479758157       14.4033570801       15.8585120294
 Cu        18.7460182397       14.2025559573       13.2798193661
 Cu        17.2301086424       14.3769572002       17.9650202718
 Cu        17.2257395179       13.8543620454       11.1892747980
 Cu        14.7820999361       14.1178594182       18.7867456606
 Cu        14.7760841128       13.8390454026       14.6046900364
 Cu        14.7845285738       13.4966010255       10.4238524689
 Cu        12.3319802375       13.7454559615       18.0112116227
 Cu        12.3316067201       13.2445597768       11.2389690948
 Cu        10.8225509047       13.3937225703       15.9480517383
 Cu        10.8212029694       13.2126539528       13.3476299054
 Cu        16.7973754031       15.1688935236       14.5084813162
 Cu        15.2999307202       15.1508978057       16.5768177153
 Cu        15.3117055020       14.8222478427       12.4653522988
 Cu        12.8953613342       14.7739481587       15.8094622539
 Cu        12.9028958433       14.5811406832       13.2690160298
 Cu        18.7828239102       16.4682161113       14.4085653893
 Cu        17.3925059562       16.5083721392       16.5260682815
 Cu        17.4051437528       16.1731707675       12.3128681466
 Cu        15.8259826106       16.4031869962       18.5264868701
 Cu        13.3929283625       16.0957756499       17.8557973778
 Cu        15.8381119548       15.7939119816       10.3532775432
 Cu        14.4743545101       16.2595843034       14.4472471227
 Cu        13.4084511400       15.5950144088       11.0589404749
 Cu        10.9134358094       15.5103563032       14.4738714152
 Cu        11.0474329183       15.6776794513       16.9970113906
 Cu        11.0594079825       15.3023019621       11.9516036912
 Cu        16.5328527001       17.6481489200       14.3303522494
 Cu        15.0099442233       17.6338309823       16.4595181195
 Cu        15.0406945281       17.2569337244       12.2360098416
 Cu        12.5273556521       17.2343071031       15.6391863417
 Cu        12.5379264949       17.0378613811       13.0886313354
 Zr        14.1581327953       18.9988843476       14.2316392822
  O        13.9713256076       20.9933351101       14.4934268687
  C        13.8330233681       20.5921626276       15.7948350167
  O        13.6163603330       21.2734494502       16.7648546683
      58
 i =       24, E =     -2681.7719567978
 Zr        15.3942325686        8.8378408630       15.0481712465
 Cu        16.9942251350       10.6551351432       16.1861250354
 Cu        16.9993137060       10.4015807806       13.6191908540
 Cu        14.5842498325       10.4079744089       17.0274624741
 Cu        14.5527654238       10.0238279167       12.8184952781
 Cu        13.0271599093       10.0209713342       14.9339246747
 Cu        18.4862047934       12.3955889545       17.2557662968
 Cu        18.4821215083       11.8742573353       12.2346030223
 Cu        18.5990693933       12.0958682502       14.7577464162
 Cu        16.1558548936       12.1393665686       18.1626559147
 Cu        15.0713209020       11.4559968157       14.7990420108
 Cu        13.7377305387       11.9157829916       18.8574947800
 Cu        16.1444651812       11.4592400691       11.4084604520
 Cu        13.7379405338       11.1669543677       10.7328041796
 Cu        12.2159566312       11.4472247221       16.8936195468
 Cu        12.1867868907       11.1087177753       12.7233707937
 Cu        10.7886176883       11.1751836843       14.8160103920
 Cu        16.6373493663       13.1418426216       15.9348894694
 Cu        16.6444330568       12.8847158784       13.4061585829
 Cu        14.2454214438       12.8898966094       16.7330970336
 Cu        14.2507627385       12.5117571309       12.6442467331
 Cu        12.7652619486       12.5182796563       14.6988479909
 Cu        18.7429455019       14.4529655735       15.8298533929
 Cu        18.7419496893       14.1815943075       13.2607072243
 Cu        17.2257577939       14.4821152564       17.9261842228
 Cu        17.2185819741       13.7958236167       11.1729254128
 Cu        14.7692788435       14.2158177257       18.7519118754
 Cu        14.7711009527       13.8774096889       14.5876318347
 Cu        14.8043299381       13.4550792095       10.4250449251
 Cu        12.3171679655       13.8105692404       17.9808459539
 Cu        12.3532688146       13.2159867289       11.2222765945
 Cu        10.8194735337       13.4201864698       15.9356484559
 Cu        10.8296959640       13.2223625527       13.3267812853
 Cu        16.7950241766       15.2058432958       14.4677567553
 Cu        15.2811898356       15.2340736086       16.5338419378
 Cu        15.3221078542       14.8300500764       12.4380410247
 Cu        12.8787157993       14.8235806817       15.7667217946
 Cu        12.9063856614       14.5971535895       13.2336408289
 Cu        18.7892172184       16.4856589338       14.3456475786
 Cu        17.3779234938       16.5850885989       16.4559778405
 Cu        17.4349965396       16.1374265138       12.2514229361
 Cu        15.8053288983       16.4967113405       18.4713999435
 Cu        13.3581623837       16.1661937993       17.7961893565
 Cu        15.8566519051       15.7712025179       10.3120595277
 Cu        14.4703606122       16.2965432993       14.4032471761
 Cu        13.4390743110       15.5799341448       11.0196738642
 Cu        10.8966021776       15.5194269728       14.4082584963
 Cu        11.0091007757       15.7190737261       16.9331893147
 Cu        11.0768575530       15.2827845655       11.8807543724
 Cu        16.5360653026       17.6778511432       14.2439936858
 Cu        14.9898282767       17.7144017802       16.4100389979
 Cu        15.0779555112       17.2713991515       12.1858578079
 Cu        12.4919941287       17.2710171475       15.5693621985
 Cu        12.5402270359       17.0489475441       13.0192831326
 Zr        14.1575659211       19.0115409246       14.2052279760
  O        14.0373315968       21.0030338791       14.6731653748
  C        13.8875126881       20.4519234544       15.9349028856
  O        13.6157511373       21.0234494502       16.9913174661
      58
 i =       25, E =     -2681.7733036655
 Zr        15.3999530767        8.8314028038       15.0188737751
 Cu        17.0033798397       10.6322909686       16.1647013756
 Cu        17.0045057898       10.4045927435       13.5919860711
 Cu        14.5760952855       10.3815219317       17.0066238615
 Cu        14.5564229234       10.0286691551       12.7954059119
 Cu        13.0277639998       10.0138139380       14.9096565844
 Cu        18.4921847978       12.3613128741       17.2515966441
 Cu        18.4899154708       11.9007742990       12.2245870513
 Cu        18.6033529670       12.0916016659       14.7473659924
 Cu        16.1564343342       12.0938115535       18.1572830978
 Cu        15.0759613281       11.4413451833       14.7905926701
 Cu        13.7372598336       11.8779371254       18.8530297090
 Cu        16.1489703696       11.4862538584       11.3880058804
 Cu        13.7339963226       11.1892356307       10.7169429789
 Cu        12.2044532776       11.4378087099       16.8931718613
 Cu        12.1842381374       11.1111832691       12.7097323783
 Cu        10.7873023899       11.1636539630       14.8092611528
 Cu        16.6421901860       13.1131348704       15.9372838112
 Cu        16.6478571263       12.8820048101       13.4021477274
 Cu        14.2478760543       12.8615169704       16.7375232710
 Cu        14.2498077959       12.5113810918       12.6400902310
 Cu        12.7647807520       12.5045128317       14.7009007991
 Cu        18.7444563304       14.4337133597       15.8427323619
 Cu        18.7453839928       14.1931592903       13.2698094483
 Cu        17.2255735595       14.4371891957       17.9440225696
 Cu        17.2246611331       13.8238377059       11.1816743666
 Cu        14.7743632955       14.1775506959       18.7671045214
 Cu        14.7737969704       13.8588274181       14.5943605905
 Cu        14.7943838805       13.4715172350       10.4223355084
 Cu        12.3225801465       13.7858641422       17.9946346635
 Cu        12.3427748853       13.2296697084       11.2292846271
 Cu        10.8201839701       13.4113627547       15.9377189301
 Cu        10.8252106988       13.2171521403       13.3340715981
 Cu        16.7963992307       15.1877128759       14.4835073749
 Cu        15.2899020394       15.1989601094       16.5503721862
 Cu        15.3170753505       14.8228987986       12.4482471356
 Cu        12.8874664469       14.8019891695       15.7857797856
 Cu        12.9047623100       14.5878181041       13.2491502075
 Cu        18.7856332458       16.4796757373       14.3726819327
 Cu        17.3829722671       16.5515930552       16.4855944476
 Cu        17.4201515638       16.1556926609       12.2772555901
 Cu        15.8142068330       16.4595931197       18.4928477254
 Cu        13.3747581876       16.1381676968       17.8215619304
 Cu        15.8486074088       15.7749413380       10.3285136313
 Cu        14.4729551734       16.2784036898       14.4173403197
 Cu        13.4242480252       15.5854914655       11.0355457903
 Cu        10.9059055594       15.5166353504       14.4372212049
 Cu        11.0283495340       15.7038279383       16.9607113998
 Cu        11.0699676216       15.2934699451       11.9140544371
 Cu        16.5343145048       17.6628466746       14.2801292349
 Cu        14.9944237795       17.6800623229       16.4269962600
 Cu        15.0588957667       17.2624560645       12.2026907631
 Cu        12.5081504718       17.2540216024       15.5942573713
 Cu        12.5405431357       17.0437353853       13.0484037179
 Zr        14.1599203750       19.0050724182       14.2206154952
  O        14.0005275460       20.9892220009       14.6012213073
  C        13.8643131288       20.5048293514       15.8790866003
  O        13.6209256433       21.1214088038       16.8960394370
      58
 i =       26, E =     -2681.7732432595
 Zr        15.4064508300        8.8280843629       14.9976672706
 Cu        17.0127532204       10.6144133696       16.1482791387
 Cu        17.0103917509       10.4093986787       13.5669846756
 Cu        14.5655919227       10.3609062498       16.9905346375
 Cu        14.5622702666       10.0334510457       12.7761154995
 Cu        13.0279384806       10.0098631118       14.8897252405
 Cu        18.4990202262       12.3336908317       17.2491092655
 Cu        18.4985910340       11.9278748145       12.2157969759
 Cu        18.6082765047       12.0909441309       14.7388642777
 Cu        16.1560506183       12.0560178474       18.1542155368
 Cu        15.0804584167       11.4285976228       14.7840317597
 Cu        13.7356924641       11.8507589017       18.8507720264
 Cu        16.1544479031       11.5142166882       11.3667630740
 Cu        13.7314133990       11.2073286096       10.7013866673
 Cu        12.1901071793       11.4367052737       16.8950184881
 Cu        12.1823380959       11.1127193659       12.6966383976
 Cu        10.7854237261       11.1551385020       14.8034465485
 Cu        16.6461062292       13.0868240312       15.9404162324
 Cu        16.6518022998       12.8797715452       13.3986436150
 Cu        14.2487819512       12.8380559887       16.7423232782
 Cu        14.2490236548       12.5097618397       12.6359052500
 Cu        12.7637477230       12.4926266928       14.7024682397
 Cu        18.7453902322       14.4191087405       15.8541353212
 Cu        18.7501461923       14.2060862982       13.2772275623
 Cu        17.2245198787       14.3972264187       17.9617933799
 Cu        17.2319464961       13.8519565026       11.1893845188
 Cu        14.7786570867       14.1469637959       18.7807635174
 Cu        14.7761463809       13.8412133390       14.6001352781
 Cu        14.7841679758       13.4843959932       10.4179190711
 Cu        12.3249690799       13.7674347888       18.0079860758
 Cu        12.3328743242       13.2407165959       11.2344419803
 Cu        10.8199374727       13.4072187137       15.9369626546
 Cu        10.8203155206       13.2121146987       13.3381070178
 Cu        16.7983061062       15.1694951838       14.4969688856
 Cu        15.2981584249       15.1693947319       16.5646996319
 Cu        15.3121383924       14.8136533188       12.4555723497
 Cu        12.8961636261       14.7839163216       15.8031803478
 Cu        12.9026364500       14.5781905630       13.2623087390
 Cu        18.7824722921       16.4758832680       14.3950041321
 Cu        17.3882791030       16.5212171595       16.5133814721
 Cu        17.4055499809       16.1754698998       12.2995199917
 Cu        15.8237134063       16.4274135501       18.5134195770
 Cu        13.3894263970       16.1157438160       17.8461445467
 Cu        15.8399701209       15.7730913263       10.3402680949
 Cu        14.4763696760       16.2608597558       14.4275742728
 Cu        13.4100073338       15.5879739502       11.0467853182
 Cu        10.9138110935       15.5154406312       14.4613827825
 Cu        11.0461568065       15.6944279911       16.9847390808
 Cu        11.0637020240       15.3033095408       11.9411678715
 Cu        16.5329979320       17.6466622055       14.3140250595
 Cu        14.9959769569       17.6497720800       16.4406780272
 Cu        15.0388530491       17.2493920255       12.2128136902
 Cu        12.5222418291       17.2381544733       15.6120162003
 Cu        12.5399798523       17.0368923841       13.0716566044
 Zr        14.1617704309       19.0007140915       14.2113777661
  O        13.9631182829       20.9868200990       14.5420482344
  C        13.8477718334       20.5504884698       15.8318818308
  O        13.6212001489       21.1962466792       16.8248768750
      58
 i =       27, E =     -2681.7736377413
 Zr        15.4046354173        8.8337322656       15.0133509383
 Cu        17.0110269137       10.6256253519       16.1584827963
 Cu        17.0086032797       10.4100443074       13.5782542993
 Cu        14.5668049091       10.3748889609       17.0005443815
 Cu        14.5613537120       10.0324872476       12.7867106089
 Cu        13.0273230365       10.0155360453       14.8998092489
 Cu        18.4976535376       12.3503932181       17.2513946615
 Cu        18.4979005042       11.9211003703       12.2213021463
 Cu        18.6069259665       12.0950576724       14.7436136119
 Cu        16.1554888279       12.0750037272       18.1581960026
 Cu        15.0793059245       11.4347301558       14.7891453772
 Cu        13.7343984444       11.8688410486       18.8539060984
 Cu        16.1543388714       11.5057771723       11.3733578944
 Cu        13.7331135760       11.1996850493       10.7068313800
 Cu        12.1908345585       11.4462249361       16.8973408399
 Cu        12.1833134923       11.1120536686       12.7011883055
 Cu        10.7853801819       11.1604063722       14.8064104234
 Cu        16.6448050092       13.0989670767       15.9405221032
 Cu        16.6513167208       12.8808460102       13.3996569710
 Cu        14.2477601902       12.8512456872       16.7419021531
 Cu        14.2496993094       12.5091679978       12.6370041294
 Cu        12.7634063628       12.4985787240       14.7025521636
 Cu        18.7442434529       14.4292537292       15.8491423124
 Cu        18.7501950528       14.2046470049       13.2741875305
 Cu        17.2231925741       14.4165407483       17.9560650955
 Cu        17.2322807611       13.8427039285       11.1869982001
 Cu        14.7762140919       14.1665079020       18.7750695546
 Cu        14.7753807576       13.8472853208       14.5969194960
 Cu        14.7865814405       13.4765900011       10.4167884972
 Cu        12.3215727133       13.7806185870       18.0028990601
 Cu        12.3358947799       13.2359449631       11.2313780933
 Cu        10.8187024687       13.4147083997       15.9330438315
 Cu        10.8217983240       13.2133817247       13.3335865363
 Cu        16.7978781752       15.1749954044       14.4895849152
 Cu        15.2954105129       15.1838906375       16.5570434781
 Cu        15.3133601895       14.8136365752       12.4499424080
 Cu        12.8939465366       14.7926378772       15.7957510622
 Cu        12.9033547120       14.5798812308       13.2552562815
 Cu        18.7828142265       16.4803374815       14.3841028613
 Cu        17.3848678624       16.5351436090       16.5006009365
 Cu        17.4090584544       16.1705362397       12.2884731127
 Cu        15.8195677365       16.4460719364       18.5015111367
 Cu        13.3841364700       16.1288821999       17.8348845762
 Cu        15.8433521870       15.7659484580       10.3317720275
 Cu        14.4750610152       16.2663411112       14.4179264103
 Cu        13.4141870364       15.5842119098       11.0380932299
 Cu        10.9116273201       15.5174740144       14.4499533945
 Cu        11.0410527362       15.7037422456       16.9737257829
 Cu        11.0664508040       15.3008936207       11.9303105157
 Cu        16.5327753333       17.6509506447       14.2979470688
 Cu        14.9900669334       17.6639200635       16.4292357754
 Cu        15.0431313117       17.2505377569       12.2020573073
 Cu        12.5161414363       17.2442708392       15.5971568216
 Cu        12.5412806729       17.0388321245       13.0582164858
 Zr        14.1627774418       19.0014383512       14.2090898426
  O        13.9679666642       20.9844062466       14.5736404566
  C        13.8558583613       20.5202464083       15.8559485817
  O        13.6261656718       21.1467535673       16.8622571636
      58
 i =       28, E =     -2681.7747589552
 Zr        15.4000593331        8.8622427823       15.0846187560
 Cu        17.0046666873       10.6712291891       16.2004808252
 Cu        17.0048906097       10.4153200331       13.6196883235
 Cu        14.5663656446       10.4304972972       17.0474801989
 Cu        14.5609311772       10.0269462842       12.8324637092
 Cu        13.0240515548       10.0414393592       14.9404345658
 Cu        18.4944922530       12.4195132992       17.2675501536
 Cu        18.4972286674       11.8999861695       12.2436853106
 Cu        18.6028199169       12.1160281522       14.7647603098
 Cu        16.1508409403       12.1618133325       18.1759108214
 Cu        15.0750980291       11.4579817846       14.8115863075
 Cu        13.7280201916       11.9590113859       18.8683207880
 Cu        16.1560792298       11.4778735091       11.3964615230
 Cu        13.7411326725       11.1639501579       10.7268848547
 Cu        12.1865880334       11.4939243171       16.9120609464
 Cu        12.1861301244       11.1083099811       12.7168312642
 Cu        10.7839054439       11.1822075925       14.8185667063
 Cu        16.6386317662       13.1400392820       15.9413947220
 Cu        16.6510458327       12.8831891627       13.4052944252
 Cu        14.2415573613       12.9015272819       16.7408380894
 Cu        14.2523369842       12.5028000410       12.6405926518
 Cu        12.7613554347       12.5209122909       14.7019569678
 Cu        18.7386037774       14.4726448789       15.8313803110
 Cu        18.7538490495       14.2015689929       13.2614908229
 Cu        17.2149532537       14.4982020772       17.9352292517
 Cu        17.2368213393       13.8127363741       11.1789910351
 Cu        14.7668218354       14.2502176783       18.7549263590
 Cu        14.7735142248       13.8686606584       14.5830920364
 Cu        14.7939712476       13.4405516718       10.4095832788
 Cu        12.3046592349       13.8384340234       17.9833187350
 Cu        12.3467753692       13.2156135412       11.2165296725
 Cu        10.8126171917       13.4492335373       15.9100525285
 Cu        10.8239770992       13.2172952440       13.3122936034
 Cu        16.7974218022       15.1946957346       14.4591009667
 Cu        15.2854925197       15.2441670677       16.5223426633
 Cu        15.3186136506       14.8069571735       12.4239347738
 Cu        12.8881418281       14.8293258186       15.7654039026
 Cu        12.9053839555       14.5848854143       13.2270523426
 Cu        18.7840007683       16.4996117479       14.3338953979
 Cu        17.3711304897       16.5943229026       16.4497204837
 Cu        17.4188884219       16.1563624679       12.2453640143
 Cu        15.8044421322       16.5267950671       18.4596533259
 Cu        13.3631846990       16.1902276969       17.7924765651
 Cu        15.8543428758       15.7291720468       10.2944066583
 Cu        14.4752549354       16.2863734928       14.3744741679
 Cu        13.4280996435       15.5669861250       11.0035303015
 Cu        10.9055692154       15.5322400066       14.3965209568
 Cu        11.0244487092       15.7440818532       16.9237934950
 Cu        11.0768869038       15.2912868184       11.8792799537
 Cu        16.5333438763       17.6679420814       14.2356011212
 Cu        14.9618855908       17.7242978188       16.3856190701
 Cu        15.0551799420       17.2473586570       12.1489789748
 Cu        12.4919809592       17.2674990694       15.5258263383
 Cu        12.5473496627       17.0442701011       12.9956333595
 Zr        14.1655377136       19.0121417448       14.1647864820
  O        13.9842470887       20.9682889295       14.7613894024
  C        13.8945362057       20.3828612458       15.9973872967
  O        13.6548191870       20.8967535673       17.0827080524
      58
 i =       29, E =     -2681.7764439421
 Zr        15.3977053083        8.8765939496       15.1147771049
 Cu        17.0050941046       10.6946206179       16.2204163441
 Cu        17.0027005390       10.4213376361       13.6385640789
 Cu        14.5645424238       10.4595507393       17.0659673399
 Cu        14.5612409524       10.0288815866       12.8506420109
 Cu        13.0225463763       10.0553446340       14.9585777675
 Cu        18.4931190789       12.4541768075       17.2742668065
 Cu        18.5008597620       11.8965542217       12.2551470028
 Cu        18.6018840231       12.1278014394       14.7747314866
 Cu        16.1482388212       12.1929570212       18.1846922396
 Cu        15.0751070625       11.4690105120       14.8230241681
 Cu        13.7215654578       11.9956695491       18.8776314457
 Cu        16.1593970690       11.4705633435       11.4033612177
 Cu        13.7441867152       11.1543755060       10.7326149127
 Cu        12.1807872318       11.5192993299       16.9180549003
 Cu        12.1878526237       11.1089454961       12.7227018118
 Cu        10.7828041994       11.1927386744       14.8235869178
 Cu        16.6383888520       13.1632570187       15.9448094369
 Cu        16.6527277861       12.8864440225       13.4057631713
 Cu        14.2399328647       12.9271857565       16.7430154899
 Cu        14.2538501948       12.5015217874       12.6408911722
 Cu        12.7597969422       12.5317835855       14.7035055343
 Cu        18.7347566748       14.4936821711       15.8253101104
 Cu        18.7555920718       14.2064194146       13.2575558036
 Cu        17.2101354152       14.5322729674       17.9291513249
 Cu        17.2422386425       13.8019234211       11.1774482739
 Cu        14.7630271612       14.2894719297       18.7467571559
 Cu        14.7723450168       13.8762798873       14.5770528641
 Cu        14.7948607928       13.4269200035       10.4041005065
 Cu        12.2969842887       13.8654613345       17.9747908706
 Cu        12.3500289227       13.2097268687       11.2115263898
 Cu        10.8085164402       13.4700103326       15.8982786938
 Cu        10.8260969126       13.2192537187       13.3022829401
 Cu        16.7967825564       15.1994971316       14.4469480951
 Cu        15.2821069053       15.2686821294       16.5099220938
 Cu        15.3189677042       14.8025171315       12.4131961522
 Cu        12.8871944868       14.8428933415       15.7533813184
 Cu        12.9064055227       14.5842742685       13.2132557604
 Cu        18.7809268866       16.5105443250       14.3177320961
 Cu        17.3620334965       16.6201159568       16.4283605105
 Cu        17.4183026115       16.1541767984       12.2269269806
 Cu        15.7958777761       16.5626691817       18.4315896317
 Cu        13.3570123726       16.2143463307       17.7716704133
 Cu        15.8589623880       15.7094401309       10.2781312933
 Cu        14.4717314372       16.2923925409       14.3528950451
 Cu        13.4318858357       15.5575370869       10.9849546663
 Cu        10.9048732878       15.5383011637       14.3785060583
 Cu        11.0219161499       15.7665671908       16.9062782690
 Cu        11.0806859838       15.2913117070       11.8657740817
 Cu        16.5291966429       17.6726740235       14.2075744955
 Cu        14.9424727539       17.7523731258       16.3600287798
 Cu        15.0533534516       17.2454035899       12.1271441179
 Cu        12.4828299728       17.2756449061       15.4908411964
 Cu        12.5536081076       17.0481986820       12.9674934960
 Zr        14.1659867475       19.0051888298       14.1731192659
  O        13.9834615955       20.9458967971       14.8224762719
  C        13.9129640855       20.3070054127       16.0412631611
  O        13.6882740714       20.7914826751       17.1353371855
      58
 i =       30, E =     -2681.7781990262
 Zr        15.3970794708        8.8942961393       15.1444255096
 Cu        17.0093605455       10.7192117817       16.2413637179
 Cu        17.0037374006       10.4317899046       13.6562961043
 Cu        14.5578804703       10.4908729314       17.0843805273
 Cu        14.5656431296       10.0322356680       12.8677314533
 Cu        13.0209259247       10.0710915317       14.9778588750
 Cu        18.4931288611       12.4848423743       17.2840234060
 Cu        18.5113598404       11.9011872849       12.2653605513
 Cu        18.6036627262       12.1434107749       14.7832376167
 Cu        16.1425064646       12.2212939705       18.1941700905
 Cu        15.0761087909       11.4820519245       14.8360703792
 Cu        13.7091896290       12.0332161233       18.8895947467
 Cu        16.1677162486       11.4680288791       11.4076716924
 Cu        13.7497551144       11.1455034574       10.7391154142
 Cu        12.1690303889       11.5514968791       16.9262468657
 Cu        12.1913065259       11.1071035638       12.7292470996
 Cu        10.7803044737       11.2045656529       14.8287162689
 Cu        16.6386898159       13.1862230873       15.9500105205
 Cu        16.6559966498       12.8921837695       13.4055542630
 Cu        14.2368366733       12.9537096977       16.7485391453
 Cu        14.2562512460       12.4997561639       12.6403309413
 Cu        12.7571260390       12.5434173109       14.7065287242
 Cu        18.7324457226       14.5158434991       15.8222198325
 Cu        18.7580424747       14.2184912989       13.2536865417
 Cu        17.2053817747       14.5640333868       17.9277038370
 Cu        17.2506060974       13.7972823170       11.1745101107
 Cu        14.7599402098       14.3289120615       18.7425436794
 Cu        14.7713864780       13.8825916333       14.5735173724
 Cu        14.7942553107       13.4130321776       10.3925460894
 Cu        12.2887267515       13.8980968842       17.9694282425
 Cu        12.3494161673       13.2018909016       11.2037098642
 Cu        10.8002051774       13.4954648568       15.8854703459
 Cu        10.8256701156       13.2197934101       13.2920639807
 Cu        16.7962135676       15.2047643233       14.4357352746
 Cu        15.2800807544       15.2932732857       16.4989206466
 Cu        15.3172688732       14.7958981131       12.4007936663
 Cu        12.8861134622       14.8568885841       15.7430219701
 Cu        12.9060522618       14.5823014218       13.1988716521
 Cu        18.7771817006       16.5242757025       14.3043725459
 Cu        17.3534324399       16.6446729331       16.4102886197
 Cu        17.4120907210       16.1587064393       12.2102081160
 Cu        15.7889321707       16.6019778549       18.4086114034
 Cu        13.3529237383       16.2404764472       17.7533931708
 Cu        15.8613836150       15.6870012309       10.2598888921
 Cu        14.4679011520       16.2955301678       14.3312511799
 Cu        13.4308191572       15.5453243344       10.9613824754
 Cu        10.9051898554       15.5471820226       14.3597365615
 Cu        11.0203781262       15.7951039626       16.8895051697
 Cu        11.0799159711       15.2914070569       11.8524551644
 Cu        16.5237106895       17.6757287169       14.1831989826
 Cu        14.9206534463       17.7839557162       16.3414824144
 Cu        15.0436529637       17.2413949653       12.1014433572
 Cu        12.4731941264       17.2845261750       15.4555101800
 Cu        12.5592219556       17.0513193164       12.9357396706
 Zr        14.1632479923       18.9934594233       14.1754982996
  O        13.9625954467       20.8960164430       14.8900991480
  C        13.9551479200       20.2256510744       16.0890676082
  O        13.7188257201       20.6805928648       17.1781228477
      58
 i =       31, E =     -2681.7797878741
 Zr        15.3950756873        8.9321760956       15.2116931697
 Cu        17.0159452904       10.7728166547       16.2874169992
 Cu        17.0051482686       10.4521555548       13.6969060896
 Cu        14.5455349990       10.5590716790       17.1266534335
 Cu        14.5737552555       10.0375855919       12.9076297071
 Cu        13.0174671903       10.1047897258       15.0209296622
 Cu        18.4921879558       12.5539809029       17.3048108455
 Cu        18.5303071745       11.9058694798       12.2882458338
 Cu        18.6061648025       12.1761858419       14.8028095587
 Cu        16.1309971953       12.2893945556       18.2146772148
 Cu        15.0771459704       11.5104596250       14.8641161535
 Cu        13.6852998482       12.1188186418       18.9140690760
 Cu        16.1832570392       11.4583840527       11.4202306290
 Cu        13.7615376422       11.1225392573       10.7552121860
 Cu        12.1470212913       11.6198000497       16.9438234379
 Cu        12.1982286729       11.1031419138       12.7443663877
 Cu        10.7755822449       11.2303704056       14.8402636476
 Cu        16.6379293903       13.2361918237       15.9597589114
 Cu        16.6618534578       12.9032939193       13.4064141650
 Cu        14.2300590785       13.0121802037       16.7583479152
 Cu        14.2611914890       12.4954766236       12.6401384348
 Cu        12.7519516063       12.5689933398       14.7118522824
 Cu        18.7271306981       14.5645320357       15.8134094429
 Cu        18.7628165219       14.2401227604       13.2443007920
 Cu        17.1949695159       14.6374092817       17.9211213959
 Cu        17.2666063979       13.7833412236       11.1675993121
 Cu        14.7525489294       14.4166488327       18.7311078456
 Cu        14.7692898120       13.8984126787       14.5645185932
 Cu        14.7946862230       13.3809027744       10.3699518687
 Cu        12.2706797240       13.9690661839       17.9558047804
 Cu        12.3504482873       13.1835892017       11.1866867120
 Cu        10.7837597353       13.5483429243       15.8579270482
 Cu        10.8253983365       13.2216061184       13.2695527037
 Cu        16.7948915711       15.2184514243       14.4095645953
 Cu        15.2742613536       15.3499822046       16.4722640438
 Cu        15.3151370796       14.7826134208       12.3732717216
 Cu        12.8829097967       14.8895154180       15.7182172164
 Cu        12.9058286124       14.5796056064       13.1673303225
 Cu        18.7703872649       16.5530491915       14.2708539579
 Cu        17.3349430525       16.7005225573       16.3676018788
 Cu        17.4024247804       16.1643579154       12.1715509635
 Cu        15.7733409348       16.6888331330       18.3587479653
 Cu        13.3416376205       16.2996739987       17.7118960434
 Cu        15.8676806415       15.6396559611       10.2196990255
 Cu        14.4609059591       16.3050856379       14.2834518064
 Cu        13.4315264248       15.5195602596       10.9118713793
 Cu        10.9046743490       15.5661407953       14.3155062154
 Cu        11.0145096169       15.8551416004       16.8494625199
 Cu        11.0804864593       15.2895118787       11.8185681014
 Cu        16.5136273798       17.6846004851       14.1265330136
 Cu        14.8751660648       17.8539352533       16.2996985402
 Cu        15.0281400238       17.2337758054       12.0446530047
 Cu        12.4508765369       17.3052402666       15.3773816304
 Cu        12.5707353722       17.0577796767       12.8658180920
 Zr        14.1586762815       18.9740034843       14.1720095320
  O        13.9265900580       20.8004934566       15.0485700981
  C        14.0400458825       20.0498144856       16.2024510644
  O        13.7837726127       20.4305928648       17.2966320882
      58
 i =       32, E =     -2681.7810937793
 Zr        15.3947179151        8.9515113952       15.2425021025
 Cu        17.0143328282       10.8001071009       16.3103157063
 Cu        17.0085259276       10.4619097374       13.7215797602
 Cu        14.5403808187       10.5918889384       17.1468500573
 Cu        14.5776750977       10.0400313696       12.9305264199
 Cu        13.0165689874       10.1205772319       15.0468233407
 Cu        18.4874712530       12.5863047267       17.3152557746
 Cu        18.5365411985       11.9051591715       12.3003139718
 Cu        18.6060405378       12.1917057237       14.8144555229
 Cu        16.1231912102       12.3290199492       18.2227707237
 Cu        15.0766615541       11.5260987898       14.8775172450
 Cu        13.6747738280       12.1647177459       18.9223035608
 Cu        16.1897164962       11.4501920198       11.4328859910
 Cu        13.7681371409       11.1052869689       10.7686299135
 Cu        12.1417649504       11.6512575780       16.9512701339
 Cu        12.2033717075       11.1015442018       12.7564655262
 Cu        10.7749557581       11.2441237834       14.8464062259
 Cu        16.6351657190       13.2621997095       15.9626627837
 Cu        16.6632088265       12.9092988151       13.4096251706
 Cu        14.2261775000       13.0425062623       16.7604438592
 Cu        14.2640334627       12.4946840663       12.6422099724
 Cu        12.7507406780       12.5828865594       14.7133048872
 Cu        18.7247268865       14.5886987538       15.8086813404
 Cu        18.7613622524       14.2470954806       13.2395968695
 Cu        17.1901263646       14.6766015126       17.9141493221
 Cu        17.2716934097       13.7740595319       11.1634127638
 Cu        14.7485788842       14.4588834531       18.7240066965
 Cu        14.7681555087       13.9105638517       14.5602918235
 Cu        14.7977315395       13.3620663545       10.3622123838
 Cu        12.2633212945       14.0062738191       17.9471220786
 Cu        12.3532210630       13.1703933605       11.1777327140
 Cu        10.7767592365       13.5705886694       15.8458124215
 Cu        10.8258731608       13.2233837112       13.2603836535
 Cu        16.7923199082       15.2320444914       14.3968246359
 Cu        15.2694014548       15.3818576414       16.4573081593
 Cu        15.3156431100       14.7790318765       12.3609584015
 Cu        12.8782996627       14.9088850175       15.7021385721
 Cu        12.9066006984       14.5819019669       13.1516914849
 Cu        18.7672774202       16.5667267260       14.2519289830
 Cu        17.3265631288       16.7298565081       16.3437890941
 Cu        17.3992252196       16.1629920849       12.1512104399
 Cu        15.7679551089       16.7291338180       18.3401861185
 Cu        13.3334689477       16.3302501951       17.6894096831
 Cu        15.8699678522       15.6201015445       10.2035318067
 Cu        14.4581327267       16.3138567430       14.2638653489
 Cu        13.4337966986       15.5062201575       10.8886231226
 Cu        10.9020630760       15.5755459766       14.2866705180
 Cu        11.0063820099       15.8826610742       16.8221946119
 Cu        11.0814576216       15.2824870090       11.7953411151
 Cu        16.5092113114       17.6937803021       14.0957428503
 Cu        14.8612869443       17.8927201312       16.2937542845
 Cu        15.0242575293       17.2339462443       12.0191360690
 Cu        12.4373676701       17.3155282918       15.3412427970
 Cu        12.5748846434       17.0610828635       12.8285390347
 Zr        14.1517005929       18.9799772656       14.1611048977
  O        13.9317548888       20.7543757172       15.1476600630
  C        14.0850137243       19.9690378794       16.2670228437
  O        13.8175889160       20.3035267176       17.3763418067
      58
 i =       33, E =     -2681.7834804577
 Zr        15.3990666348        8.9641134551       15.2456985031
 Cu        17.0072610114       10.8099871120       16.3140882435
 Cu        17.0204423077       10.4699819170       13.7343981094
 Cu        14.5337684572       10.6020302280       17.1510910821
 Cu        14.5813864936       10.0446590184       12.9436731155
 Cu        13.0190638012       10.1268390241       15.0613498922
 Cu        18.4769597157       12.5893372176       17.3187616614
 Cu        18.5366685724       11.9116718793       12.3055236751
 Cu        18.6056602920       12.2022990225       14.8221555372
 Cu        16.1147568875       12.3489484923       18.2222094053
 Cu        15.0759565564       11.5344774874       14.8814076476
 Cu        13.6710070404       12.1879400540       18.9155023922
 Cu        16.1921923172       11.4504642299       11.4469013843
 Cu        13.7726407502       11.0925890569       10.7855651947
 Cu        12.1463209486       11.6664088771       16.9533830155
 Cu        12.2090066547       11.1028038149       12.7686183592
 Cu        10.7778218949       11.2509214258       14.8472586295
 Cu        16.6278526861       13.2678117249       15.9615123384
 Cu        16.6611127119       12.9125972009       13.4181457563
 Cu        14.2227260061       13.0542784736       16.7559985490
 Cu        14.2669586124       12.4967310609       12.6481337342
 Cu        12.7535505287       12.5877783809       14.7112025807
 Cu        18.7233298497       14.5975889997       15.8102743412
 Cu        18.7531799124       14.2499795298       13.2418246124
 Cu        17.1857943024       14.6891383381       17.9100421130
 Cu        17.2695074903       13.7776680003       11.1631275369
 Cu        14.7468184284       14.4653440053       18.7216316110
 Cu        14.7685030338       13.9205012474       14.5614016275
 Cu        14.8026356308       13.3526922853       10.3633841905
 Cu        12.2635556754       14.0281867713       17.9437663578
 Cu        12.3551553149       13.1580694475       11.1752498464
 Cu        10.7753776124       13.5697542436       15.8439049727
 Cu        10.8265216159       13.2241440501       13.2619932048
 Cu        16.7854878883       15.2496143334       14.3948108220
 Cu        15.2630375782       15.3954384152       16.4483191254
 Cu        15.3168621769       14.7797891800       12.3594264330
 Cu        12.8715107939       14.9198363681       15.6926604517
 Cu        12.9082480453       14.5855271132       13.1508516368
 Cu        18.7640542558       16.5726930664       14.2464651626
 Cu        17.3246145270       16.7343992044       16.3356930182
 Cu        17.3940668380       16.1613854767       12.1487211629
 Cu        15.7732668808       16.7304990283       18.3534792935
 Cu        13.3294167847       16.3406146612       17.6847913284
 Cu        15.8651051066       15.6240427234       10.2072503356
 Cu        14.4593739351       16.3198749744       14.2618470195
 Cu        13.4340802277       15.4974696804       10.8853791787
 Cu        10.8997895061       15.5782443594       14.2678861000
 Cu        10.9968356412       15.8923850009       16.8034551159
 Cu        11.0823295849       15.2684716802       11.7795452733
 Cu        16.5071819196       17.7014012987       14.0827801950
 Cu        14.8731163189       17.9051548765       16.3230629091
 Cu        15.0227539714       17.2385790724       12.0140575054
 Cu        12.4286573775       17.3160588534       15.3337580551
 Cu        12.5736805585       17.0568294963       12.8136150954
 Zr        14.1442148196       19.0185268094       14.1356104752
  O        13.9484530812       20.7265566081       15.2117322584
  C        14.1018011318       19.9533935151       16.2926053385
  O        13.8424149724       20.2429854105       17.4437805377
      58
 i =       34, E =     -2681.7843034492
 Zr        15.4012381027        8.9665589786       15.2479279105
 Cu        17.0001235569       10.8140960900       16.3141085449
 Cu        17.0243172535       10.4716648682       13.7410655629
 Cu        14.5342738904       10.6048080419       17.1510352461
 Cu        14.5814249064       10.0466715222       12.9489316452
 Cu        13.0213242072       10.1294094684       15.0673409346
 Cu        18.4727740704       12.5936771996       17.3185181138
 Cu        18.5298982839       11.9094575824       12.3087966904
 Cu        18.6043536260       12.2077917602       14.8272657175
 Cu        16.1139630145       12.3555814964       18.2201190638
 Cu        15.0755148886       11.5390624766       14.8803008449
 Cu        13.6733267401       12.1930835038       18.9116731329
 Cu        16.1890185038       11.4475910492       11.4550305307
 Cu        13.7733004059       11.0895946012       10.7905610522
 Cu        12.1513524384       11.6673584268       16.9523183234
 Cu        12.2094013385       11.1045181775       12.7724912189
 Cu        10.7794901419       11.2535331256       14.8479138135
 Cu        16.6251475587       13.2727931790       15.9608271638
 Cu        16.6597144136       12.9144969888       13.4227339843
 Cu        14.2223177605       13.0594578069       16.7526679439
 Cu        14.2670058785       12.4997643258       12.6510817725
 Cu        12.7555074755       12.5895122817       14.7082937538
 Cu        18.7197237665       14.6006096366       15.8111039149
 Cu        18.7485723796       14.2481479018       13.2427665592
 Cu        17.1831156684       14.6935776636       17.9057482014
 Cu        17.2645471115       13.7751541601       11.1653456051
 Cu        14.7447148019       14.4686756992       18.7183536504
 Cu        14.7675973295       13.9276555357       14.5601496738
 Cu        14.8071804134       13.3527410608       10.3703448093
 Cu        12.2641092594       14.0325635601       17.9399129919
 Cu        12.3604205247       13.1540593978       11.1781663499
 Cu        10.7796369613       13.5672880589       15.8462030379
 Cu        10.8281972375       13.2262151346       13.2628198751
 Cu        16.7818192518       15.2572960416       14.3949709465
 Cu        15.2574276281       15.4036252996       16.4457192096
 Cu        15.3183703607       14.7838021263       12.3608293856
 Cu        12.8688149832       14.9236657574       15.6894611864
 Cu        12.9085192238       14.5885926574       13.1517313344
 Cu        18.7607024474       16.5741094436       14.2444927607
 Cu        17.3227372840       16.7383370809       16.3334431855
 Cu        17.3942723345       16.1578983514       12.1480981026
 Cu        15.7729634152       16.7268253134       18.3544157756
 Cu        13.3251677971       16.3446385765       17.6822444953
 Cu        15.8635780986       15.6332715587       10.2087564020
 Cu        14.4587467695       16.3275169176       14.2608145187
 Cu        13.4374878385       15.4950828881       10.8887625240
 Cu        10.8976335445       15.5775712420       14.2635845700
 Cu        10.9919902541       15.8933504669       16.7976605391
 Cu        11.0870437988       15.2613785702       11.7715283204
 Cu        16.5065262200       17.7108279448       14.0742518025
 Cu        14.8753953246       17.9127043240       16.3215138631
 Cu        15.0259296218       17.2413233306       12.0135774955
 Cu        12.4262236313       17.3196851000       15.3300107889
 Cu        12.5713783460       17.0555085233       12.8115502562
 Zr        14.1459960774       19.0254980213       14.1150480422
  O        13.9547649862       20.7284777665       15.2295128242
  C        14.0955206724       19.9318460949       16.3070138150
  O        13.8689444812       20.2313130312       17.4551030104
      58
 i =       35, E =     -2681.7848059777
 Zr        15.4049175166        8.9816836005       15.2689982791
 Cu        16.9917210414       10.8335596764       16.3252669790
 Cu        17.0318040848       10.4803278499       13.7617218840
 Cu        14.5311409465       10.6266127774       17.1595826784
 Cu        14.5809411102       10.0529750872       12.9676204241
 Cu        13.0236489245       10.1427216583       15.0849398937
 Cu        18.4659754279       12.6187265601       17.3217356276
 Cu        18.5242876651       11.9112987988       12.3222389312
 Cu        18.6030534767       12.2273755516       14.8412256183
 Cu        16.1108528306       12.3813777236       18.2237198433
 Cu        15.0750810869       11.5526787336       14.8848362452
 Cu        13.6727089949       12.2208578447       18.9086302365
 Cu        16.1870673560       11.4425660321       11.4712718939
 Cu        13.7758874149       11.0839670346       10.8028799069
 Cu        12.1536274037       11.6877438564       16.9565875987
 Cu        12.2107068837       11.1076701816       12.7807273142
 Cu        10.7809868901       11.2628067265       14.8513038729
 Cu        16.6197010186       13.2905435725       15.9618933942
 Cu        16.6579112092       12.9194698116       13.4317743745
 Cu        14.2206566749       13.0811414341       16.7486773872
 Cu        14.2683963036       12.5043067207       12.6565960736
 Cu        12.7578526238       12.5970211861       14.7052862095
 Cu        18.7099904452       14.6212504112       15.8111214317
 Cu        18.7421775609       14.2531387937       13.2469179074
 Cu        17.1734251546       14.7169484556       17.8994887580
 Cu        17.2606538529       13.7716343080       11.1707116662
 Cu        14.7378398377       14.4952774115       18.7093353670
 Cu        14.7659732426       13.9423120436       14.5564359293
 Cu        14.8149391125       13.3467903711       10.3765436496
 Cu        12.2596270472       14.0572201924       17.9303519369
 Cu        12.3678654994       13.1458582549       11.1810285084
 Cu        10.7830912857       13.5742548985       15.8424988056
 Cu        10.8311929957       13.2288933102       13.2595197166
 Cu        16.7733722882       15.2745109082       14.3894839429
 Cu        15.2457185124       15.4303806714       16.4332694127
 Cu        15.3194383161       14.7865918998       12.3572261972
 Cu        12.8644659315       14.9376207763       15.6794355319
 Cu        12.9091857029       14.5914995416       13.1482833823
 Cu        18.7528126318       16.5864865910       14.2354703174
 Cu        17.3119756324       16.7594310325       16.3197197222
 Cu        17.3923455473       16.1576087199       12.1402806181
 Cu        15.7674779879       16.7422173341       18.3424598928
 Cu        13.3150015473       16.3665837210       17.6689320837
 Cu        15.8623242639       15.6366524244       10.2048463551
 Cu        14.4550505366       16.3419948013       14.2423473044
 Cu        13.4422136476       15.4867720859       10.8840024359
 Cu        10.8958167135       15.5800151207       14.2493598124
 Cu        10.9831951809       15.9094087008       16.7793317193
 Cu        11.0957776751       15.2507621942       11.7567834329
 Cu        16.5031964286       17.7273428977       14.0446665442
 Cu        14.8643687209       17.9358661615       16.2962393392
 Cu        15.0252325957       17.2458149286       12.0001083161
 Cu        12.4157517215       17.3299006293       15.3028740257
 Cu        12.5709533007       17.0540881243       12.7946303773
 Zr        14.1520022470       19.0345393323       14.1039499423
  O        13.9436643413       20.7007386574       15.2819819742
  C        14.1124730069       19.8593569164       16.3417691794
  O        13.9294009736       20.1372983912       17.5093680421
      58
 i =       36, E =     -2681.7852992115
 Zr        15.4069982044        8.9766887837       15.2578430907
 Cu        16.9911459402       10.8250729363       16.3163748652
 Cu        17.0336855334       10.4800525988       13.7563156920
 Cu        14.5318344184       10.6169464569       17.1479432315
 Cu        14.5790043802       10.0544101097       12.9609398205
 Cu        13.0248543532       10.1406206154       15.0753155234
 Cu        18.4651697249       12.6097388446       17.3180494450
 Cu        18.5204801994       11.9168561388       12.3216524536
 Cu        18.6023664604       12.2274814937       14.8385820394
 Cu        16.1122184969       12.3663379699       18.2206869093
 Cu        15.0751242711       11.5504138105       14.8780072075
 Cu        13.6771377004       12.2030662087       18.9013106819
 Cu        16.1843521357       11.4459256940       11.4713768678
 Cu        13.7748265622       11.0924771482       10.8003207869
 Cu        12.1560719534       11.6787059036       16.9550683328
 Cu        12.2103008554       11.1079816525       12.7777193704
 Cu        10.7818125044       11.2579895712       14.8503372167
 Cu        16.6189286753       13.2821799585       15.9601330049
 Cu        16.6557710407       12.9210973148       13.4327080584
 Cu        14.2217783231       13.0722388823       16.7466384852
 Cu        14.2678601275       12.5081482858       12.6572872514
 Cu        12.7586410416       12.5940532732       14.7056061474
 Cu        18.7076391433       14.6166497478       15.8142178019
 Cu        18.7400164453       14.2554414459       13.2537527050
 Cu        17.1716876650       14.7020902825       17.9044233444
 Cu        17.2561249798       13.7791891603       11.1753469668
 Cu        14.7358762485       14.4797428223       18.7129974230
 Cu        14.7656253824       13.9419814139       14.5586160769
 Cu        14.8160964770       13.3560417435       10.3819218199
 Cu        12.2606504494       14.0445562281       17.9328269062
 Cu        12.3674847360       13.1496142052       11.1870861690
 Cu        10.7869475726       13.5657228348       15.8483178184
 Cu        10.8312149383       13.2269547833       13.2647934930
 Cu        16.7704234083       15.2764574959       14.3975974282
 Cu        15.2450076048       15.4188233633       16.4401650120
 Cu        15.3181547137       14.7915284423       12.3632323225
 Cu        12.8652620287       14.9344799694       15.6856110148
 Cu        12.9082409188       14.5920557091       13.1555577441
 Cu        18.7523239437       16.5863719699       14.2459525337
 Cu        17.3133806006       16.7514662134       16.3309150685
 Cu        17.3933741094       16.1629670753       12.1501839011
 Cu        15.7678897998       16.7257172109       18.3528531806
 Cu        13.3145182744       16.3569769299       17.6786349316
 Cu        15.8598093491       15.6487460430       10.2136264682
 Cu        14.4531869998       16.3425118587       14.2449613444
 Cu        13.4397729840       15.4918796818       10.8939469822
 Cu        10.8956217527       15.5760285966       14.2612447074
 Cu        10.9846298177       15.8997812044       16.7881080264
 Cu        11.0953313064       15.2495482924       11.7677849217
 Cu        16.5060321433       17.7296541547       14.0509024019
 Cu        14.8713067577       17.9053461480       16.2863035510
 Cu        15.0245466433       17.2490277154       12.0094599545
 Cu        12.4190993980       17.3304868540       15.3132660073
 Cu        12.5664737150       17.0517060875       12.8091574494
 Zr        14.1546707122       19.0322034109       14.1086437761
  O        13.9208195507       20.7063275076       15.2406125973
  C        14.1006602217       19.8806028702       16.3109895436
  O        13.9550000969       20.1718564167       17.4857522082
      58
 i =       37, E =     -2681.7856165532
 Zr        15.4056275639        8.9693861671       15.2486241446
 Cu        16.9932550166       10.8179091050       16.3118010062
 Cu        17.0317119775       10.4769159272       13.7525385485
 Cu        14.5357904356       10.6067960119       17.1421955936
 Cu        14.5777925455       10.0506438252       12.9539360962
 Cu        13.0245233405       10.1349546303       15.0684885445
 Cu        18.4673324336       12.6035605456       17.3180620269
 Cu        18.5187960860       11.9147275316       12.3179039744
 Cu        18.6029505649       12.2230107281       14.8345075564
 Cu        16.1129881169       12.3572768311       18.2182759432
 Cu        15.0743127142       11.5473600448       14.8733970668
 Cu        13.6796589197       12.1898266347       18.9015320512
 Cu        16.1831980835       11.4441405443       11.4707302521
 Cu        13.7749319351       11.0945204563       10.7962126483
 Cu        12.1580418763       11.6653840697       16.9534067121
 Cu        12.2096594646       11.1055365776       12.7753460245
 Cu        10.7815362752       11.2527750682       14.8508631306
 Cu        16.6199330192       13.2782586331       15.9591923496
 Cu        16.6551000274       12.9230375436       13.4309389171
 Cu        14.2219203108       13.0646228507       16.7469965479
 Cu        14.2662159216       12.5096161047       12.6559033352
 Cu        12.7574053123       12.5925977907       14.7066185905
 Cu        18.7090701325       14.6107800700       15.8159718818
 Cu        18.7398233211       14.2542936956       13.2548735611
 Cu        17.1733261834       14.6945713366       17.9074704493
 Cu        17.2536915489       13.7805090927       11.1744479006
 Cu        14.7352326584       14.4692999673       18.7169194254
 Cu        14.7644201990       13.9413042997       14.5601717493
 Cu        14.8166320569       13.3614819625       10.3838369427
 Cu        12.2603975136       14.0315355774       17.9363221693
 Cu        12.3662595066       13.1525823669       11.1871618342
 Cu        10.7877122953       13.5605881548       15.8542732434
 Cu        10.8286314298       13.2258863860       13.2678439298
 Cu        16.7723119403       15.2769036870       14.4026701455
 Cu        15.2459369429       15.4109603453       16.4477253619
 Cu        15.3184783331       14.7976421860       12.3658659736
 Cu        12.8646375393       14.9325080805       15.6901505602
 Cu        12.9054290224       14.5954546673       13.1576420172
 Cu        18.7565228364       16.5850433348       14.2511907054
 Cu        17.3154096219       16.7491787633       16.3383810145
 Cu        17.3987265265       16.1658702688       12.1530501594
 Cu        15.7665331011       16.7193245138       18.3607096362
 Cu        13.3121582809       16.3496069592       17.6858066307
 Cu        15.8603731845       15.6568502379       10.2152459197
 Cu        14.4534222539       16.3425809783       14.2520615491
 Cu        13.4391406323       15.4983181584       10.8990246386
 Cu        10.8919632885       15.5749583827       14.2678357056
 Cu        10.9836973661       15.8920652941       16.7945878415
 Cu        11.0901914291       15.2504467377       11.7710696774
 Cu        16.5104287245       17.7317714648       14.0569549039
 Cu        14.8757213527       17.8899420745       16.2898654553
 Cu        15.0278328175       17.2540944116       12.0152516349
 Cu        12.4205709996       17.3313370865       15.3227683626
 Cu        12.5616945504       17.0542991126       12.8161655978
 Zr        14.1461175485       19.0228737162       14.1069912365
  O        13.9259046382       20.7114329480       15.2187869719
  C        14.1084292843       19.9020129036       16.2960334822
  O        13.9519495479       20.2073732592       17.4621631411
      58
 i =       38, E =     -2681.7858316407
 Zr        15.4055472630        8.9711272963       15.2499723398
 Cu        16.9940896159       10.8213919053       16.3143469915
 Cu        17.0325346426       10.4795381637       13.7571410536
 Cu        14.5368429175       10.6087847872       17.1427297691
 Cu        14.5773269163       10.0501803041       12.9555729760
 Cu        13.0247830233       10.1360502991       15.0696184492
 Cu        18.4668216812       12.6100909631       17.3206651522
 Cu        18.5183413737       11.9165265821       12.3201036064
 Cu        18.6034157969       12.2276147007       14.8361623477
 Cu        16.1112375824       12.3611259931       18.2187442745
 Cu        15.0738358067       11.5500844942       14.8731460066
 Cu        13.6789289509       12.1916788566       18.9030296835
 Cu        16.1835621484       11.4427941953       11.4756526657
 Cu        13.7767992464       11.0938572359       10.7975066692
 Cu        12.1578925382       11.6650528670       16.9547178696
 Cu        12.2102772298       11.1046373215       12.7766964024
 Cu        10.7816627436       11.2523994000       14.8529816284
 Cu        16.6189335492       13.2828321678       15.9596610812
 Cu        16.6543396983       12.9276062935       13.4320749406
 Cu        14.2206084763       13.0675679107       16.7472859393
 Cu        14.2656331376       12.5116573614       12.6564507107
 Cu        12.7565404921       12.5950428780       14.7075331709
 Cu        18.7072980841       14.6159315554       15.8178009932
 Cu        18.7381168261       14.2580325126       13.2571148755
 Cu        17.1702736312       14.6994465305       17.9092502423
 Cu        17.2524825095       13.7821764206       11.1748472230
 Cu        14.7315900455       14.4728338910       18.7177215760
 Cu        14.7629495158       13.9449809148       14.5603705512
 Cu        14.8185566212       13.3625411197       10.3850677443
 Cu        12.2573921413       14.0326371077       17.9362260018
 Cu        12.3662323172       13.1521707000       11.1866446754
 Cu        10.7871012279       13.5621359216       15.8560276985
 Cu        10.8271661978       13.2253492331       13.2683097221
 Cu        16.7714487534       15.2834283806       14.4039930170
 Cu        15.2431699046       15.4145711388       16.4489550391
 Cu        15.3184184312       14.8025186148       12.3654333694
 Cu        12.8624135022       14.9366060256       15.6897712830
 Cu        12.9031159798       14.5984047030       13.1566960153
 Cu        18.7575537112       16.5902337955       14.2520133016
 Cu        17.3118894701       16.7561508228       16.3387106526
 Cu        17.4011944004       16.1698981622       12.1518280761
 Cu        15.7623167035       16.7242556959       18.3616309715
 Cu        13.3072596074       16.3524646765       17.6857782680
 Cu        15.8608318094       15.6603646625       10.2136403510
 Cu        14.4524725103       16.3451352225       14.2505645953
 Cu        13.4387150841       15.4999365282       10.8984154495
 Cu        10.8883411223       15.5758670510       14.2666446088
 Cu        10.9800702896       15.8946748624       16.7931017356
 Cu        11.0867053513       15.2484255631       11.7685433366
 Cu        16.5118313605       17.7368508992       14.0504231440
 Cu        14.8739515581       17.8890245174       16.2863333648
 Cu        15.0280108129       17.2588118608       12.0115096153
 Cu        12.4163194823       17.3338284395       15.3185901870
 Cu        12.5580242752       17.0557239724       12.8119841212
 Zr        14.1388458060       19.0184560009       14.0984500023
  O        13.9245450931       20.7006073939       15.2240570053
  C        14.1260647730       19.8881003115       16.2977744664
  O        13.9758475547       20.1920013575       17.4653685200
      58
 i =       39, E =     -2681.7838678471
 Zr        15.4065620745        8.9813470746       15.2479049470
 Cu        16.9994732743       10.8448119484       16.3273272326
 Cu        17.0406408612       10.5029066149       13.7918392435
 Cu        14.5493182411       10.6155291060       17.1376369542
 Cu        14.5707569831       10.0480319572       12.9628004733
 Cu        13.0290440271       10.1416268309       15.0705125128
 Cu        18.4600224632       12.6595781446       17.3411334526
 Cu        18.5085653159       11.9369213148       12.3384965817
 Cu        18.6061675667       12.2678606287       14.8492981025
 Cu        16.0972329066       12.3822283464       18.2182438787
 Cu        15.0698727611       11.5707819516       14.8647868032
 Cu        13.6772093750       12.1904056401       18.9106551186
 Cu        16.1830538259       11.4362780983       11.5203058499
 Cu        13.7915918618       11.0973304442       10.8061152966
 Cu        12.1611321276       11.6491443236       16.9630701944
 Cu        12.2141456690       11.0999971382       12.7855496281
 Cu        10.7844047095       11.2445749023       14.8701479953
 Cu        16.6093118963       13.3161343542       15.9628313612
 Cu        16.6456504314       12.9697090793       13.4436104122
 Cu        14.2103665964       13.0836398307       16.7478438814
 Cu        14.2593447204       12.5331903520       12.6624276339
 Cu        12.7501650905       12.6126364579       14.7151275163
 Cu        18.6898040496       14.6567244521       15.8388367319
 Cu        18.7201682305       14.2920416182       13.2826519643
 Cu        17.1407340320       14.7296820686       17.9285517020
 Cu        17.2374093019       13.8037280949       11.1828728898
 Cu        14.6972675024       14.4877498386       18.7274194251
 Cu        14.7498907195       13.9760788169       14.5639582087
 Cu        14.8359961521       13.3822687594       10.4026200511
 Cu        12.2333513592       14.0274267524       17.9369914971
 Cu        12.3668230906       13.1541009879       11.1880324016
 Cu        10.7855040255       13.5658754725       15.8782021458
 Cu        10.8146938905       13.2203122736       13.2790174501
 Cu        16.7618569509       15.3418994698       14.4230128098
 Cu        15.2173037418       15.4376046313       16.4655122807
 Cu        15.3171607454       14.8508149603       12.3688450932
 Cu        12.8431723216       14.9666154512       15.6919038468
 Cu        12.8822256869       14.6246855128       13.1557453099
 Cu        18.7648187839       16.6348259931       14.2695427870
 Cu        17.2787053413       16.8102960796       16.3509533147
 Cu        17.4235282510       16.2074205191       12.1512910179
 Cu        15.7224747618       16.7523615168       18.3771641604
 Cu        13.2648739027       16.3666839264       17.6922511664
 Cu        15.8631386871       15.7032438710       10.2100299652
 Cu        14.4438741126       16.3654414409       14.2446085977
 Cu        13.4334874517       15.5204943392       10.9046893731
 Cu        10.8561656920       15.5793905589       14.2666865874
 Cu        10.9491609783       15.9062263319       16.7886495126
 Cu        11.0548845987       15.2293641694       11.7554618440
 Cu        16.5240660459       17.7826652632       13.9977704892
 Cu        14.8617528330       17.8713669903       16.2521723983
 Cu        15.0298229920       17.3039140901       11.9880644597
 Cu        12.3796438176       17.3505704216       15.2930069223
 Cu        12.5223340221       17.0652444610       12.7874514802
 Zr        14.0752877657       18.9766249670       14.0255468126
  O        13.9148211372       20.6114682471       15.2380103435
  C        14.2778905722       19.7892955340       16.2879208623
  O        14.2258475547       20.1029149707       17.4687732612
      58
 i =       40, E =     -2681.7862674678
 Zr        15.4065409907        8.9749091377       15.2476659322
 Cu        16.9957846428       10.8287379855       16.3172323707
 Cu        17.0343119540       10.4882807942       13.7652459706
 Cu        14.5408185742       10.6105660019       17.1410830416
 Cu        14.5750827028       10.0512155759       12.9567646127
 Cu        13.0265923920       10.1379647085       15.0676702200
 Cu        18.4634689590       12.6244962157       17.3269037973
 Cu        18.5153558694       11.9263573097       12.3262984076
 Cu        18.6032093226       12.2403368062       14.8401297380
 Cu        16.1070199624       12.3664439313       18.2182317553
 Cu        15.0731818138       11.5551755829       14.8713304979
 Cu        13.6780454573       12.1893869451       18.9054026747
 Cu        16.1835601096       11.4448211980       11.4879753818
 Cu        13.7810068345       11.0979471731       10.7993822187
 Cu        12.1583767529       11.6596873792       16.9567795454
 Cu        12.2112192601       11.1054779894       12.7784184496
 Cu        10.7830711361       11.2499423601       14.8576654715
 Cu        16.6161058956       13.2916356830       15.9610898307
 Cu        16.6516119968       12.9406447695       13.4352931513
 Cu        14.2175250293       13.0707045100       16.7479536408
 Cu        14.2638066165       12.5182428517       12.6585504231
 Cu        12.7547310301       12.5997315585       14.7104048690
 Cu        18.7017655318       14.6287095670       15.8253022562
 Cu        18.7330026738       14.2703415414       13.2657207334
 Cu        17.1599935069       14.7079051736       17.9159143085
 Cu        17.2490257561       13.7914556099       11.1784180960
 Cu        14.7207811112       14.4754452269       18.7212401527
 Cu        14.7594658297       13.9519620516       14.5614974363
 Cu        14.8218341908       13.3701172225       10.3904607587
 Cu        12.2510223762       14.0293255555       17.9365480553
 Cu        12.3661214109       13.1549624875       11.1882374752
 Cu        10.7861140343       13.5631572837       15.8620458188
 Cu        10.8241388109       13.2236535040       13.2724908949
 Cu        16.7684127505       15.2990909023       14.4100202682
 Cu        15.2361615854       15.4184727957       16.4538831022
 Cu        15.3173084503       14.8157711277       12.3675479050
 Cu        12.8573490727       14.9430918806       15.6909846151
 Cu        12.8972735438       14.6043296984       13.1571903038
 Cu        18.7579854481       16.6034877614       14.2592045316
 Cu        17.3003316952       16.7707071116       16.3433737258
 Cu        17.4062884421       16.1814749149       12.1538503966
 Cu        15.7476072257       16.7325075311       18.3647499397
 Cu        13.2964222767       16.3543479867       17.6872574049
 Cu        15.8619157046       15.6703095404       10.2146135076
 Cu        14.4494401239       16.3464043719       14.2492463924
 Cu        13.4358542066       15.5069559480       10.9009887920
 Cu        10.8791060137       15.5757869938       14.2681040784
 Cu        10.9725375852       15.8967071427       16.7938540924
 Cu        11.0764314671       15.2435862936       11.7674989521
 Cu        16.5132860609       17.7466081047       14.0355872219
 Cu        14.8695404154       17.8834240212       16.2739048775
 Cu        15.0269996616       17.2700801610       12.0041229461
 Cu        12.4041761841       17.3342209998       15.3121336783
 Cu        12.5470700900       17.0565388618       12.8046786635
 Zr        14.1217335069       19.0056166057       14.0795416997
  O        13.9278345539       20.6748829433       15.2258536152
  C        14.1686127717       19.8618919168       16.2915479052
  O        14.0509641999       20.1693455920       17.4632398625
      58
 i =       41, E =     -2681.7864125146
 Zr        15.4084182183        8.9780389304       15.2481477942
 Cu        16.9957756301       10.8329984206       16.3183440598
 Cu        17.0356081633       10.4932892622       13.7669738890
 Cu        14.5410103508       10.6130544971       17.1412760715
 Cu        14.5750835419       10.0538796366       12.9579726995
 Cu        13.0275778003       10.1402786964       15.0673979135
 Cu        18.4610770461       12.6300905068       17.3294301157
 Cu        18.5151759670       11.9332389818       12.3294318047
 Cu        18.6024756326       12.2459134949       14.8425386021
 Cu        16.1051865132       12.3691272245       18.2186516406
 Cu        15.0735106219       11.5574224433       14.8721630777
 Cu        13.6767092084       12.1902958069       18.9056344126
 Cu        16.1843709549       11.4486449946       11.4910679852
 Cu        13.7822665825       11.1005095388       10.8002639317
 Cu        12.1575762332       11.6606425476       16.9576482761
 Cu        12.2116941235       11.1071540017       12.7789816816
 Cu        10.7835687555       11.2501513208       14.8587801793
 Cu        16.6148112153       13.2947453453       15.9622446688
 Cu        16.6510372657       12.9452766780       13.4366550946
 Cu        14.2161979604       13.0724828930       16.7486331413
 Cu        14.2636412368       12.5203236231       12.6596766866
 Cu        12.7542955491       12.6012264324       14.7115139862
 Cu        18.6995666538       14.6342502311       15.8281848265
 Cu        18.7316841283       14.2768471637       13.2692790710
 Cu        17.1554311796       14.7114662125       17.9183659616
 Cu        17.2489943382       13.7964260845       11.1803780623
 Cu        14.7165668515       14.4774762426       18.7223662314
 Cu        14.7585600544       13.9533418405       14.5618495341
 Cu        14.8217432842       13.3724204430       10.3919336163
 Cu        12.2489054549       14.0300066772       17.9365444595
 Cu        12.3660600312       13.1559913244       11.1893143329
 Cu        10.7850896796       13.5641069289       15.8624751823
 Cu        10.8237892215       13.2229907368       13.2737315386
 Cu        16.7665656115       15.3029157598       14.4114610986
 Cu        15.2340145889       15.4193306312       16.4542765376
 Cu        15.3162478327       14.8182398380       12.3682836028
 Cu        12.8558998716       14.9442529943       15.6910045966
 Cu        12.8960581428       14.6043449966       13.1574758378
 Cu        18.7556310350       16.6090170318       14.2620681343
 Cu        17.2957521691       16.7738948288       16.3442498032
 Cu        17.4052804210       16.1849480676       12.1553527058
 Cu        15.7421570779       16.7356763740       18.3643779007
 Cu        13.2942750518       16.3553613323       17.6862950256
 Cu        15.8617985651       15.6711248502       10.2154977205
 Cu        14.4476447634       16.3449454391       14.2471037016
 Cu        13.4339828993       15.5079292500       10.9010129717
 Cu        10.8767540897       15.5750261746       14.2680528777
 Cu        10.9711542199       15.8980192953       16.7939999590
 Cu        11.0737728812       15.2417927873       11.7681264710
 Cu        16.5113384381       17.7479797291       14.0307848709
 Cu        14.8678186996       17.8821241650       16.2680653206
 Cu        15.0244826595       17.2713856579       12.0001908537
 Cu        12.3994671408       17.3324800906       15.3082860551
 Cu        12.5442003875       17.0546457106       12.8009951499
 Zr        14.1190843837       19.0022617513       14.0735455224
  O        13.9275408916       20.6638292172       15.2300479198
  C        14.1810055967       19.8502535468       16.2910768546
  O        14.0818992294       20.1567412362       17.4662930183
      58
 i =       42, E =     -2681.7865188124
 Zr        15.4113302618        8.9815065355       15.2490015787
 Cu        16.9952237404       10.8362048965       16.3185001883
 Cu        17.0360151907       10.4976789437       13.7642816406
 Cu        14.5403239099       10.6152771575       17.1424512042
 Cu        14.5761318548       10.0582917930       12.9581974067
 Cu        13.0284054745       10.1423859769       15.0666178660
 Cu        18.4587580305       12.6322375249       17.3310334080
 Cu        18.5164759406       11.9413618796       12.3314994496
 Cu        18.6009137664       12.2484220973       14.8445429807
 Cu        16.1044839940       12.3702687491       18.2196993003
 Cu        15.0745432589       11.5579137097       14.8747697772
 Cu        13.6748519219       12.1909779349       18.9055163710
 Cu        16.1857950250       11.4558019660       11.4891250437
 Cu        13.7818644885       11.1043093845       10.7995822111
 Cu        12.1559696415       11.6628158656       16.9576388585
 Cu        12.2114409191       11.1102754470       12.7780452513
 Cu        10.7835878597       11.2509497363       14.8580498805
 Cu        16.6143268197       13.2953326169       15.9639339480
 Cu        16.6516749953       12.9470243278       13.4369873797
 Cu        14.2153913019       13.0726117645       16.7500947703
 Cu        14.2639278521       12.5204641648       12.6603611252
 Cu        12.7541600527       12.6006563053       14.7121606976
 Cu        18.6987301424       14.6370968771       15.8300405544
 Cu        18.7326639077       14.2826507982       13.2713411298
 Cu        17.1524776876       14.7129537037       17.9195979439
 Cu        17.2512216531       13.8010499060       11.1820266379
 Cu        14.7141573839       14.4789511555       18.7229461507
 Cu        14.7586065114       13.9509046280       14.5619600280
 Cu        14.8191603780       13.3735763390       10.3917446377
 Cu        12.2483849732       14.0305556122       17.9369126199
 Cu        12.3658607095       13.1577989972       11.1904241012
 Cu        10.7833198140       13.5642889960       15.8603967899
 Cu        10.8244336955       13.2226098830       13.2740265821
 Cu        16.7653312947       15.3001260774       14.4109704229
 Cu        15.2342611584       15.4171334140       16.4530171293
 Cu        15.3146750514       14.8156939250       12.3688754991
 Cu        12.8558729919       14.9411326234       15.6910843133
 Cu        12.8966126057       14.6007001859       13.1579893857
 Cu        18.7507878179       16.6122235522       14.2644050605
 Cu        17.2933382102       16.7711500833       16.3439701321
 Cu        17.4009748857       16.1847759555       12.1572787376
 Cu        15.7386114745       16.7372570796       18.3613429575
 Cu        13.2963432054       16.3546564780       17.6835510974
 Cu        15.8613434618       15.6668901101       10.2168240076
 Cu        14.4456941697       16.3399614406       14.2447904641
 Cu        13.4319116100       15.5071086261       10.9001892292
 Cu        10.8768879113       15.5729276742       14.2684422755
 Cu        10.9727940042       15.8974383882       16.7954474432
 Cu        11.0737478881       15.2420560644       11.7710682064
 Cu        16.5060995647       17.7442158791       14.0311093361
 Cu        14.8671391749       17.8819490389       16.2633383171
 Cu        15.0206271578       17.2673391990       11.9974270888
 Cu        12.3971204247       17.3273170889       15.3059244415
 Cu        12.5447066384       17.0505955167       12.7989068379
 Zr        14.1228462494       19.0018767305       14.0743428798
  O        13.9307623710       20.6610296858       15.2320715505
  C        14.1817610833       19.8467895531       16.2903005933
  O        14.0920743509       20.1504951052       17.4676863933
      58
 i =       43, E =     -2681.7866532029
 Zr        15.4158488674        8.9853626359       15.2476330750
 Cu        16.9951804409       10.8395216434       16.3186184908
 Cu        17.0367887033       10.5040285737       13.7602967889
 Cu        14.5409540701       10.6153011525       17.1427354011
 Cu        14.5778576534       10.0636871056       12.9566916502
 Cu        13.0297187102       10.1433501751       15.0643083800
 Cu        18.4561434737       12.6347712483       17.3350031848
 Cu        18.5188198501       11.9542280916       12.3339834451
 Cu        18.5991651786       12.2524004183       14.8474286299
 Cu        16.1029445779       12.3707873698       18.2214974745
 Cu        15.0756662772       11.5588242556       14.8772938958
 Cu        13.6721906447       12.1881348655       18.9060658099
 Cu        16.1879369617       11.4658358106       11.4869073218
 Cu        13.7817862505       11.1095557805       10.7973538794
 Cu        12.1543115171       11.6608236170       16.9575281463
 Cu        12.2109730185       11.1133093734       12.7762242898
 Cu        10.7831332904       11.2498077461       14.8575979496
 Cu        16.6136462228       13.2967839586       15.9667667188
 Cu        16.6527218074       12.9518579728       13.4375831182
 Cu        14.2134507724       13.0710964965       16.7528170261
 Cu        14.2634788487       12.5218207318       12.6608948025
 Cu        12.7529675986       12.5994630951       14.7134165922
 Cu        18.6972877823       14.6410337919       15.8343908054
 Cu        18.7342732508       14.2924636933       13.2755157208
 Cu        17.1480655830       14.7147483911       17.9228661249
 Cu        17.2537622064       13.8088534796       11.1841030379
 Cu        14.7090898994       14.4794536317       18.7253779305
 Cu        14.7573182038       13.9482705179       14.5629057979
 Cu        14.8162027729       13.3768954130       10.3919783948
 Cu        12.2462189090       14.0277786692       17.9392731991
 Cu        12.3650871337       13.1605787330       11.1910961253
 Cu        10.7803162757       13.5622195498       15.8600470088
 Cu        10.8231072222       13.2214271129       13.2752089089
 Cu        16.7635615501       15.2981655151       14.4122017868
 Cu        15.2336048640       15.4122586848       16.4541083217
 Cu        15.3122504849       14.8151809371       12.3699749130
 Cu        12.8538835198       14.9363058615       15.6925987848
 Cu        12.8949511577       14.5973536158       13.1589241297
 Cu        18.7444346005       16.6189870931       14.2698943748
 Cu        17.2902105903       16.7687618819       16.3465881617
 Cu        17.3968679008       16.1867191617       12.1595703319
 Cu        15.7313341881       16.7391269590       18.3604090858
 Cu        13.2958160937       16.3525886372       17.6816178479
 Cu        15.8603103612       15.6646464674       10.2176518771
 Cu        14.4413667458       16.3339513880       14.2427302712
 Cu        13.4286032832       15.5079220459       10.8999071702
 Cu        10.8736151602       15.5694721464       14.2704585437
 Cu        10.9723268942       15.8944056014       16.7987684702
 Cu        11.0710556108       15.2417474578       11.7744986245
 Cu        16.4993780858       17.7414351664       14.0318984203
 Cu        14.8686783631       17.8739239423       16.2559663304
 Cu        15.0158648002       17.2639198117       11.9943508473
 Cu        12.3932603693       17.3210908304       15.3044629699
 Cu        12.5419029993       17.0463382050       12.7966800860
 Zr        14.1227524322       18.9980319930       14.0708519992
  O        13.9371431692       20.6572659330       15.2287790859
  C        14.1905480012       19.8437076830       16.2843846042
  O        14.1154116721       20.1462609652       17.4631181986
      58
 i =       44, E =     -2681.7833922468
 Zr        15.4579627328        9.0215468404       15.2340990665
 Cu        16.9947930436       10.8721129095       16.3213403829
 Cu        17.0456528517       10.5645329595       13.7279337560
 Cu        14.5481268494       10.6157496084       17.1445758944
 Cu        14.5935625860       10.1132213621       12.9437822642
 Cu        13.0426396681       10.1521794719       15.0441990510
 Cu        18.4311854555       12.6625485586       17.3741848594
 Cu        18.5400714224       12.0736465758       12.3590650957
 Cu        18.5836810151       12.2940390731       14.8763510958
 Cu        16.0870205874       12.3784171449       18.2384451284
 Cu        15.0854748747       11.5696986551       14.8990493001
 Cu        13.6474435325       12.1623023835       18.9115449861
 Cu        16.2075716071       11.5578430428       11.4713682746
 Cu        13.7827394803       11.1571955032       10.7782089737
 Cu        12.1401234717       11.6399953302       16.9572407491
 Cu        12.2071131012       11.1403058618       12.7606768817
 Cu        10.7791726079       11.2380844929       14.8549524341
 Cu        16.6061332888       13.3136976318       15.9932708351
 Cu        16.6617339598       13.0001987134       13.4450061421
 Cu        14.1944326039       13.0587242712       16.7773993903
 Cu        14.2586505132       12.5370211647       12.6662723948
 Cu        12.7414053381       12.5895701551       14.7250314429
 Cu        18.6815635653       14.6814779279       15.8769814934
 Cu        18.7470545837       14.3849233800       13.3168042039
 Cu        17.1048039454       14.7346156402       17.9546750605
 Cu        17.2757735405       13.8826665394       11.2044839809
 Cu        14.6593011831       14.4855335188       18.7485075150
 Cu        14.7437681310       13.9279465684       14.5718212367
 Cu        14.7915752103       13.4090863238       10.3957101519
 Cu        12.2240000920       14.0021624816       17.9609720206
 Cu        12.3582431330       13.1851302118       11.1969354570
 Cu        10.7530241557       13.5420511649       15.8598290625
 Cu        10.8089406851       13.2101047245       13.2872380508
 Cu        16.7454397017       15.2868602687       14.4255453995
 Cu        15.2238800915       15.3701146912       16.4656391287
 Cu        15.2900734006       14.8153444914       12.3800988372
 Cu        12.8326537742       14.8943970451       15.7062153551
 Cu        12.8767593549       14.5697443410       13.1673867170
 Cu        18.6853569770       16.6855553970       14.3222330597
 Cu        17.2581565171       16.7531513138       16.3724050337
 Cu        17.3612394412       16.2089002970       12.1798219792
 Cu        15.6595803420       16.7584301546       18.3535136011
 Cu        13.2849752777       16.3354981343       17.6640291136
 Cu        15.8500518695       15.6499898460       10.2243678209
 Cu        14.3996394618       16.2820601078       14.2228454443
 Cu        13.3979691892       15.5165218621       10.8982095592
 Cu        10.8390249468       15.5380508437       14.2885660073
 Cu        10.9635744691       15.8671064491       16.8273743897
 Cu        11.0433290659       15.2359112817       11.8031617186
 Cu        16.4387446591       17.7216263350       14.0332081570
 Cu        14.8824053999       17.7977256513       16.1834542823
 Cu        14.9719324721       17.2372930447       11.9648182676
 Cu        12.3545667445       17.2663293335       15.2888208976
 Cu        12.5108255211       17.0089492800       12.7740329751
 Zr        14.1139947694       18.9606117666       14.0317625697
  O        13.9927546853       20.6149967093       15.1992833954
  C        14.2865392500       19.8046220391       16.2284359699
  O        14.3654116721       20.0966928799       17.4227245960
      58
 i =       45, E =     -2681.7866948391
 Zr        15.4241497964        8.9900402747       15.2415640423
 Cu        16.9955739261       10.8441610204       16.3189424743
 Cu        17.0381497847       10.5148850023       13.7531093474
 Cu        14.5445007366       10.6116971217       17.1421809886
 Cu        14.5810814292       10.0720863031       12.9517814970
 Cu        13.0323496788       10.1417397262       15.0593706335
 Cu        18.4521485608       12.6394259265       17.3436502029
 Cu        18.5236607387       11.9757853652       12.3378390201
 Cu        18.5967674599       12.2598967744       14.8532906878
 Cu        16.0999907315       12.3713924100       18.2251388560
 Cu        15.0770428693       11.5600862137       14.8800485359
 Cu        13.6679038926       12.1795054736       18.9078251868
 Cu        16.1915535178       11.4837034005       11.4833564027
 Cu        13.7817943480       11.1189781178       10.7925020342
 Cu        12.1530497605       11.6508219740       16.9566249733
 Cu        12.2095694112       11.1178980488       12.7724827238
 Cu        10.7819534754       11.2451358063       14.8568260105
 Cu        16.6122160003       13.2999219240       15.9723673869
 Cu        16.6547119988       12.9616766332       13.4391766974
 Cu        14.2093488619       13.0662681589       16.7575893446
 Cu        14.2617060533       12.5253082044       12.6612888666
 Cu        12.7500704179       12.5959442057       14.7152297611
 Cu        18.6942867333       14.6480418891       15.8440841308
 Cu        18.7369981217       14.3096372698       13.2836818508
 Cu        17.1399509149       14.7182008267       17.9300190669
 Cu        17.2579647348       13.8228039296       11.1877259303
 Cu        14.6985776317       14.4785506984       18.7306781476
 Cu        14.7537552323       13.9444039372       14.5651138775
 Cu        14.8117824031       13.3848506731       10.3927437353
 Cu        12.2415107835       14.0187248825       17.9445823604
 Cu        12.3631830012       13.1657646294       11.1909296226
 Cu        10.7747815801       13.5545651760       15.8625733785
 Cu        10.8184592210       13.2190826992       13.2782788700
 Cu        16.7602098757       15.2966424034       14.4158896877
 Cu        15.2305644964       15.4029493221       16.4583897332
 Cu        15.3083870461       14.8172695451       12.3720374941
 Cu        12.8480817277       14.9264405612       15.6959694407
 Cu        12.8894722846       14.5932530670       13.1608912868
 Cu        18.7332883556       16.6321956542       14.2811179970
 Cu        17.2839803114       16.7663019106       16.3533898366
 Cu        17.3919032864       16.1916396107       12.1628524681
 Cu        15.7157792743       16.7420975686       18.3607028972
 Cu        13.2909680581       16.3475709136       17.6788344873
 Cu        15.8580425910       15.6659997622       10.2182188291
 Cu        14.4323044350       16.3248470112       14.2412922056
 Cu        13.4229165623       15.5112137002       10.9010253637
 Cu        10.8642284441       15.5623380166       14.2753714006
 Cu        10.9681734481       15.8854646066       16.8052200811
 Cu        11.0636205008       15.2403515859       11.7793457336
 Cu        16.4877613951       17.7387486470       14.0329374674
 Cu        14.8727423667       17.8579254543       16.2438174277
 Cu        15.0083785093       17.2609755875       11.9909355602
 Cu        12.3855436174       17.3105228989       15.3043461051
 Cu        12.5332421797       17.0405687330       12.7938890162
 Zr        14.1167688381       18.9881269571       14.0636164666
  O        13.9564617585       20.6515632592       15.2163473734
  C        14.2152073468       19.8410665765       16.2694779484
  O        14.1653704833       20.1453012682       17.4473329943
      58
 i =       46, E =     -2681.7867878203
 Zr        15.4207877622        8.9857032301       15.2410197538
 Cu        16.9955232896       10.8393404790       16.3178662829
 Cu        17.0378431750       10.5084595704       13.7555411725
 Cu        14.5438412310       10.6097860766       17.1406740249
 Cu        14.5804252269       10.0679552818       12.9519640955
 Cu        13.0315557385       10.1395181909       15.0607702496
 Cu        18.4546769825       12.6341437648       17.3396305911
 Cu        18.5220693525       11.9629842232       12.3348508869
 Cu        18.5983885972       12.2553840843       14.8504693812
 Cu        16.1015292597       12.3687431384       18.2236513580
 Cu        15.0762005563       11.5586017121       14.8772409953
 Cu        13.6704290067       12.1797193919       18.9065229298
 Cu        16.1898150482       11.4761335463       11.4836196489
 Cu        13.7814799906       11.1143047018       10.7936146515
 Cu        12.1547970775       11.6511011422       16.9563615404
 Cu        12.2098889442       11.1143770020       12.7732034432
 Cu        10.7823349087       11.2447119691       14.8562683042
 Cu        16.6128018613       13.2969425363       15.9697651739
 Cu        16.6541189827       12.9561467461       13.4387697453
 Cu        14.2111696345       13.0658021807       16.7549813056
 Cu        14.2621236012       12.5238691830       12.6604199394
 Cu        12.7512798177       12.5951817430       14.7134363770
 Cu        18.6955471846       14.6425730685       15.8401922358
 Cu        18.7359771235       14.2988434348       13.2800182180
 Cu        17.1447790139       14.7136913744       17.9273755218
 Cu        17.2559835235       13.8161760041       11.1861971002
 Cu        14.7040593186       14.4757381269       18.7285681239
 Cu        14.7548357744       13.9459651270       14.5644615700
 Cu        14.8147177318       13.3817393574       10.3920582602
 Cu        12.2439650997       14.0199932821       17.9430464656
 Cu        12.3637325255       13.1627177146       11.1903466816
 Cu        10.7776873043       13.5541190943       15.8630981900
 Cu        10.8192536623       13.2196601058       13.2771937101
 Cu        16.7612553992       15.2968799852       14.4149953149
 Cu        15.2310721167       15.4057618571       16.4575432275
 Cu        15.3102469695       14.8165570993       12.3713981404
 Cu        12.8494878045       14.9287736871       15.6950416353
 Cu        12.8907348013       14.5956324700       13.1609313153
 Cu        18.7377679899       16.6239709348       14.2771432422
 Cu        17.2876816055       16.7659369514       16.3525409568
 Cu        17.3946355666       16.1896829346       12.1614468787
 Cu        15.7230429570       16.7369881680       18.3626766603
 Cu        13.2916879767       16.3482563288       17.6811881443
 Cu        15.8576428242       15.6685609958       10.2182328495
 Cu        14.4357211219       16.3304128535       14.2437342109
 Cu        13.4255909043       15.5096964114       10.9020243128
 Cu        10.8669311439       15.5649460142       14.2747632883
 Cu        10.9686306610       15.8863719274       16.8026902563
 Cu        11.0668036812       15.2404025655       11.7768374675
 Cu        16.4935269928       17.7405715616       14.0351897915
 Cu        14.8725055155       17.8638146680       16.2506424742
 Cu        15.0117796473       17.2626551932       11.9956410457
 Cu        12.3910731149       17.3161357895       15.3079406112
 Cu        12.5348760463       17.0440029113       12.7988257865
 Zr        14.1172292756       18.9935850434       14.0661169802
  O        13.9476038277       20.6609865801       15.2131587301
  C        14.2019130777       19.8494481298       16.2710665975
  O        14.1405500321       20.1549838650       17.4489766318
      58
 i =       47, E =     -2681.7868062307
 Zr        15.4201623678        8.9837015327       15.2394275818
 Cu        16.9961934889       10.8371878770       16.3172965515
 Cu        17.0381795395       10.5067302808       13.7553010698
 Cu        14.5435901922       10.6082110015       17.1397113210
 Cu        14.5811287040       10.0668501776       12.9510225443
 Cu        13.0316433737       10.1379063982       15.0603954229
 Cu        18.4554165047       12.6317025705       17.3386877111
 Cu        18.5228557739       11.9601891065       12.3336681994
 Cu        18.5991710988       12.2536073867       14.8493888345
 Cu        16.1015962636       12.3667070665       18.2235787862
 Cu        15.0761208235       11.5577066889       14.8760993608
 Cu        13.6705325229       12.1784706407       18.9061090448
 Cu        16.1899475057       11.4753316033       11.4826169795
 Cu        13.7817677792       11.1126136435       10.7933398791
 Cu        12.1549862789       11.6502275244       16.9561222068
 Cu        12.2103505165       11.1125475300       12.7729111406
 Cu        10.7825644629       11.2433836742       14.8555855430
 Cu        16.6127994405       13.2953071939       15.9692245188
 Cu        16.6541142328       12.9544012341       13.4384981455
 Cu        14.2114590636       13.0645846627       16.7543417205
 Cu        14.2622979890       12.5231970977       12.6596024939
 Cu        12.7514531697       12.5939386625       14.7128622392
 Cu        18.6958662965       14.6402623779       15.8392400008
 Cu        18.7359562865       14.2957242167       13.2792355301
 Cu        17.1463356712       14.7111279870       17.9276104470
 Cu        17.2559167210       13.8153503117       11.1855790254
 Cu        14.7055967258       14.4733168147       18.7285156583
 Cu        14.7549668687       13.9456844099       14.5644617309
 Cu        14.8154095896       13.3807271521       10.3907122795
 Cu        12.2444464540       14.0196307017       17.9430122475
 Cu        12.3631972321       13.1612996416       11.1895920176
 Cu        10.7778971139       13.5530113469       15.8633248653
 Cu        10.8191170822       13.2191113372       13.2768741743
 Cu        16.7613083302       15.2962429646       14.4151128356
 Cu        15.2309774555       15.4057792983       16.4576341943
 Cu        15.3103164704       14.8156224751       12.3710579014
 Cu        12.8493682852       14.9281581516       15.6949187091
 Cu        12.8906419377       14.5956627979       13.1609454366
 Cu        18.7387599561       16.6213778802       14.2769362039
 Cu        17.2885654577       16.7648470667       16.3533351606
 Cu        17.3946267068       16.1896518516       12.1615683615
 Cu        15.7245126088       16.7344639285       18.3634472609
 Cu        13.2919081409       16.3476779592       17.6819410431
 Cu        15.8566466546       15.6694256075       10.2181280940
 Cu        14.4360637399       16.3312471838       14.2450478209
 Cu        13.4255391225       15.5085366907       10.9021861836
 Cu        10.8672734108       15.5652150390       14.2752391474
 Cu        10.9687225548       15.8858827478       16.8024435941
 Cu        11.0669169505       15.2402202733       11.7764134886
 Cu        16.4947743398       17.7396727761       14.0372705716
 Cu        14.8719913994       17.8672057700       16.2525966215
 Cu        15.0116955284       17.2621838958       11.9977773859
 Cu        12.3931113632       17.3169894077       15.3102826390
 Cu        12.5341481458       17.0443144853       12.8014311429
 Zr        14.1163380883       18.9936107139       14.0667908673
  O        13.9392532057       20.6635527782       15.2087279510
  C        14.1983874010       19.8544053688       16.2696346967
  O        14.1322944324       20.1607794171       17.4466063349
      58
 i =       48, E =     -2681.7868610155
 Zr        15.4227476722        8.9820534003       15.2338232960
 Cu        16.9971157567       10.8357208734       16.3164287612
 Cu        17.0397495943       10.5084319328       13.7524471263
 Cu        14.5448506129       10.6039031473       17.1376716074
 Cu        14.5839253694       10.0684106874       12.9475709739
 Cu        13.0332574057       10.1342496443       15.0578650286
 Cu        18.4542088119       12.6298144020       17.3407953708
 Cu        18.5259001909       11.9642682481       12.3335311112
 Cu        18.5993875872       12.2537646244       14.8501958126
 Cu        16.1000516067       12.3638783736       18.2247018114
 Cu        15.0765699109       11.5568552145       14.8751041561
 Cu        13.6687195747       12.1730186054       18.9057603233
 Cu        16.1917650409       11.4812439667       11.4800336869
 Cu        13.7828413033       11.1129330172       10.7913113079
 Cu        12.1552766357       11.6440742025       16.9550146567
 Cu        12.2110241470       11.1110205256       12.7711886425
 Cu        10.7829416590       11.2388452248       14.8540196707
 Cu        16.6117484479       13.2941286794       15.9704907163
 Cu        16.6546605864       12.9555976932       13.4389298965
 Cu        14.2101187486       13.0605704463       16.7547754764
 Cu        14.2620161582       12.5235344838       12.6583393183
 Cu        12.7507276591       12.5902467123       14.7124464189
 Cu        18.6947987732       14.6392324905       15.8416032130
 Cu        18.7364278345       14.2972729349       13.2814148658
 Cu        17.1452208642       14.7086440641       17.9308054365
 Cu        17.2571524373       13.8197081050       11.1859822151
 Cu        14.7035574100       14.4683551799       18.7302992121
 Cu        14.7536012374       13.9439643219       14.5652178044
 Cu        14.8151132229       13.3820244395       10.3887444081
 Cu        12.2433423684       14.0154200924       17.9444839381
 Cu        12.3617492302       13.1602613631       11.1881988891
 Cu        10.7759736788       13.5475244383       15.8648344849
 Cu        10.8172512874       13.2168722801       13.2777821616
 Cu        16.7595591625       15.2951743883       14.4169529772
 Cu        15.2289039744       15.4027856007       16.4591688895
 Cu        15.3087311835       14.8149487769       12.3714296462
 Cu        12.8462808997       14.9230241162       15.6954728467
 Cu        12.8882216445       14.5939390931       13.1615133361
 Cu        18.7357729870       16.6222028284       14.2812607396
 Cu        17.2867919260       16.7624556426       16.3572364164
 Cu        17.3922794682       16.1913327554       12.1633666598
 Cu        15.7199159712       16.7312052730       18.3646704549
 Cu        13.2899288650       16.3447635029       17.6813622602
 Cu        15.8536533534       15.6719091461       10.2185668617
 Cu        14.4326212834       16.3290156616       14.2470927688
 Cu        13.4229211066       15.5074185112       10.9029672127
 Cu        10.8637151478       15.5624570412       14.2774044380
 Cu        10.9665912266       15.8811457966       16.8039748699
 Cu        11.0637973118       15.2382563434       11.7769044437
 Cu        16.4917810076       17.7371496552       14.0406690854
 Cu        14.8724577264       17.8693118958       16.2513786749
 Cu        15.0082717376       17.2602202243       12.0003487338
 Cu        12.3928942350       17.3137268639       15.3144951587
 Cu        12.5285748653       17.0418960623       12.8046589259
 Zr        14.1113507565       18.9894016467       14.0649413864
  O        13.9332774313       20.6647548111       15.1981829132
  C        14.2020780595       19.8618172807       16.2622781093
  O        14.1400752474       20.1704655688       17.4375754567
      58
 i =       49, E =     -2681.7869409443
 Zr        15.4288709469        8.9759869170       15.2186323919
 Cu        16.9970902859       10.8309666409       16.3134891777
 Cu        17.0440719722       10.5102044668       13.7477065512
 Cu        14.5498922951       10.5906727674       17.1314482957
 Cu        14.5905117125       10.0702810791       12.9392793995
 Cu        13.0378782548       10.1231766366       15.0524811546
 Cu        18.4496812820       12.6242518930       17.3457696103
 Cu        18.5303868549       11.9690831945       12.3329430604
 Cu        18.5993715392       12.2526999101       14.8524659212
 Cu        16.0959610689       12.3577293777       18.2257189852
 Cu        15.0772364491       11.5545682526       14.8709108960
 Cu        13.6655172226       12.1596326915       18.9035382479
 Cu        16.1950989583       11.4918606162       11.4761181974
 Cu        13.7864781462       11.1107598308       10.7873387385
 Cu        12.1592213410       11.6246136627       16.9507794514
 Cu        12.2132422047       11.1058901342       12.7678038000
 Cu        10.7849747840       11.2265675018       14.8500866579
 Cu        16.6083584419       13.2916547603       15.9723573254
 Cu        16.6551570146       12.9575703644       13.4406511282
 Cu        14.2071622299       13.0499166859       16.7536354281
 Cu        14.2613605555       12.5244613789       12.6551067683
 Cu        12.7497716505       12.5805696017       14.7100476170
 Cu        18.6915085549       14.6347333263       15.8468320265
 Cu        18.7355336404       14.2966573496       13.2859424786
 Cu        17.1425622107       14.7033523790       17.9358824534
 Cu        17.2576296991       13.8270754661       11.1866466240
 Cu        14.6989034800       14.4543159289       18.7325355237
 Cu        14.7498911325       13.9416193187       14.5661922027
 Cu        14.8166096516       13.3843873650       10.3856387008
 Cu        12.2416024768       14.0037208037       17.9458305781
 Cu        12.3602610608       13.1554733438       11.1849325981
 Cu        10.7732322630       13.5312693234       15.8699386491
 Cu        10.8132081227       13.2111119424       13.2806674178
 Cu        16.7546395768       15.2946515807       14.4216530232
 Cu        15.2220810153       15.3982135164       16.4619852489
 Cu        15.3055773290       14.8148148205       12.3730730344
 Cu        12.8376298911       14.9107408619       15.6951452874
 Cu        12.8822952472       14.5911279931       13.1623728884
 Cu        18.7291016453       16.6214328582       14.2905616581
 Cu        17.2819708115       16.7587433865       16.3656008531
 Cu        17.3880271856       16.1930200525       12.1672051999
 Cu        15.7082994161       16.7214664353       18.3682439068
 Cu        13.2829813191       16.3377164602       17.6786067080
 Cu        15.8458778528       15.6813041006       10.2209828625
 Cu        14.4243520979       16.3265150218       14.2545818248
 Cu        13.4178291849       15.5044775367       10.9064871615
 Cu        10.8542129984       15.5554852623       14.2805315486
 Cu        10.9587200633       15.8671367032       16.8049229001
 Cu        11.0569790681       15.2301633535       11.7745463759
 Cu        16.4851267264       17.7345113520       14.0474072252
 Cu        14.8745977636       17.8803039001       16.2522622232
 Cu        15.0017667868       17.2574986780       12.0099188487
 Cu        12.3923136949       17.3066944353       15.3272230246
 Cu        12.5133658130       17.0366792986       12.8138157369
 Zr        14.0956922167       18.9816560778       14.0613418979
  O        13.9278681128       20.6719393613       15.1802584325
  C        14.2060336391       19.8851688882       16.2499749186
  O        14.1544551368       20.2022453630       17.4209769142
      58
 i =       50, E =     -2681.7870019465
 Zr        15.4292912881        8.9788266590       15.2228202862
 Cu        16.9958300712       10.8342709737       16.3149350088
 Cu        17.0439562312       10.5114345378       13.7499858431
 Cu        14.5493782234       10.5941725765       17.1330377292
 Cu        14.5895146022       10.0706681017       12.9416722046
 Cu        13.0375601265       10.1258748407       15.0542015821
 Cu        18.4483753735       12.6287526322       17.3460832321
 Cu        18.5285481105       11.9698433731       12.3348241075
 Cu        18.5984497713       12.2551961685       14.8539136198
 Cu        16.0959954545       12.3613508147       18.2255356206
 Cu        15.0772274952       11.5557107104       14.8721223331
 Cu        13.6658826600       12.1640203943       18.9035335585
 Cu        16.1948432170       11.4898406735       11.4782348897
 Cu        13.7868424813       11.1115753081       10.7888245104
 Cu        12.1590967158       11.6284522666       16.9511655250
 Cu        12.2132722215       11.1074942654       12.7687646247
 Cu        10.7850259569       11.2289064174       14.8508388146
 Cu        16.6080167486       13.2942333769       15.9723589789
 Cu        16.6546585231       12.9585064998       13.4410332224
 Cu        14.2071726227       13.0531520559       16.7532764253
 Cu        14.2616148925       12.5246911460       12.6561664715
 Cu        12.7500712788       12.5827180109       14.7102154258
 Cu        18.6906849637       14.6382056003       15.8469091346
 Cu        18.7345620849       14.2990588635       13.2860737643
 Cu        17.1400719527       14.7079267474       17.9340666694
 Cu        17.2569224137       13.8258579620       11.1874061268
 Cu        14.6976742170       14.4592537052       18.7307877696
 Cu        14.7500510326       13.9427179584       14.5655031724
 Cu        14.8165006802       13.3842849069       10.3874273656
 Cu        12.2412265991       14.0060429759       17.9441581879
 Cu        12.3614813041       13.1559319863       11.1859871211
 Cu        10.7736871979       13.5333657869       15.8686470718
 Cu        10.8143498674       13.2114628266       13.2802371540
 Cu        16.7544163480       15.2964438794       14.4206292741
 Cu        15.2218480500       15.4009379811       16.4603537921
 Cu        15.3057729812       14.8155219951       12.3730147076
 Cu        12.8384275404       14.9132862583       15.6940996056
 Cu        12.8831158451       14.5909726203       13.1616398794
 Cu        18.7287336979       16.6236110064       14.2885368506
 Cu        17.2804209828       16.7619056932       16.3624706437
 Cu        17.3879979128       16.1925562692       12.1664722963
 Cu        15.7079067549       16.7257808539       18.3666165538
 Cu        13.2823723392       16.3399731960       17.6770022541
 Cu        15.8475470194       15.6795081031       10.2209705149
 Cu        14.4248383305       16.3266634827       14.2522610941
 Cu        13.4184099469       15.5048081418       10.9055386408
 Cu        10.8550601424       15.5554763763       14.2783041824
 Cu        10.9585074738       15.8685532922       16.8034396567
 Cu        11.0579194808       15.2296233297       11.7741285539
 Cu        16.4840071927       17.7368823336       14.0428904761
 Cu        14.8732084993       17.8786742084       16.2514733216
 Cu        15.0017200008       17.2585304612       12.0070059070
 Cu        12.3889655256       17.3070027585       15.3231388976
 Cu        12.5152301241       17.0362912989       12.8099147548
 Zr        14.0973730857       18.9834565184       14.0623243400
  O        13.9370955070       20.6677402607       15.1912606625
  C        14.2081511512       19.8751708849       16.2556760842
  O        14.1620690223       20.1905277308       17.4286253793
      58
 i =       51, E =     -2681.7871263685
 Zr        15.4343388918        8.9795513208       15.2201096628
 Cu        16.9946027738       10.8358527481       16.3148118315
 Cu        17.0462641763       10.5143800946       13.7497079440
 Cu        14.5513294515       10.5906585969       17.1304749903
 Cu        14.5917814485       10.0719695109       12.9389522558
 Cu        13.0396985261       10.1228607958       15.0514774477
 Cu        18.4440138143       12.6324685676       17.3490808628
 Cu        18.5279966997       11.9749761234       12.3376451358
 Cu        18.5969149674       12.2589837287       14.8573050576
 Cu        16.0940716548       12.3606535916       18.2256458726
 Cu        15.0779236912       11.5546073504       14.8707591381
 Cu        13.6652243495       12.1605327171       18.9020154140
 Cu        16.1967536522       11.4932342430       11.4778849189
 Cu        13.7897634517       11.1138980929       10.7872096366
 Cu        12.1602328446       11.6228712893       16.9492304456
 Cu        12.2144330669       11.1069053661       12.7665481199
 Cu        10.7862972766       11.2240007923       14.8490560685
 Cu        16.6055371386       13.2954305009       15.9735367761
 Cu        16.6540024607       12.9607895852       13.4421570789
 Cu        14.2056714028       13.0503083496       16.7519241668
 Cu        14.2615700703       12.5251652611       12.6555200933
 Cu        12.7499805720       12.5792124165       14.7089784641
 Cu        18.6867257567       14.6413072597       15.8511040604
 Cu        18.7323201583       14.3039879920       13.2899146209
 Cu        17.1325494954       14.7101276232       17.9348410667
 Cu        17.2560663444       13.8293482476       11.1900880952
 Cu        14.6923406281       14.4578935716       18.7288762488
 Cu        14.7481189765       13.9414758248       14.5649286763
 Cu        14.8166039674       13.3869902053       10.3888413091
 Cu        12.2393601556       14.0001833778       17.9424841743
 Cu        12.3620820994       13.1551069313       11.1865185598
 Cu        10.7730677368       13.5258926162       15.8691143567
 Cu        10.8137833288       13.2073072542       13.2811447698
 Cu        16.7510919756       15.2979300457       14.4224011059
 Cu        15.2174998216       15.4013133478       16.4597536739
 Cu        15.3037014183       14.8164080918       12.3745044664
 Cu        12.8355093434       14.9087820049       15.6934242882
 Cu        12.8806644697       14.5876959850       13.1619064547
 Cu        18.7237982449       16.6268760821       14.2919571944
 Cu        17.2737906421       16.7639945183       16.3633647458
 Cu        17.3847224732       16.1944895475       12.1692358507
 Cu        15.7000770041       16.7262155564       18.3664830004
 Cu        13.2772008581       16.3377815080       17.6740190428
 Cu        15.8458034990       15.6819054826       10.2235238386
 Cu        14.4208502061       16.3239938719       14.2530442178
 Cu        13.4152063365       15.5044115139       10.9070014758
 Cu        10.8512409026       15.5501717574       14.2788256631
 Cu        10.9543494162       15.8603316460       16.8036915156
 Cu        11.0548897989       15.2246316339       11.7753678106
 Cu        16.4772811192       17.7388894336       14.0407090670
 Cu        14.8695992871       17.8790519437       16.2507713465
 Cu        14.9955471560       17.2584671625       12.0083220077
 Cu        12.3822203786       17.3021090285       15.3249272937
 Cu        12.5087887420       17.0316878095       12.8112038496
 Zr        14.0906843464       18.9811404260       14.0619470504
  O        13.9444754874       20.6667518332       15.1922059523
  C        14.2161772223       19.8750321244       16.2537539991
  O        14.1849896409       20.1958192556       17.4260057001
      58
 i =       52, E =     -2681.7589643486
 Zr        15.4202442149        8.9285819278       15.2020980123
 Cu        17.0348253597       10.8414249862       16.3392273324
 Cu        17.0492614479       10.5119099486       13.7423448500
 Cu        14.5280224146       10.6116472286       17.1517752935
 Cu        14.6047415321       10.0659310935       12.9398634974
 Cu        13.0480339235       10.1117407483       15.0427796747
 Cu        18.4723812641       12.6144062395       17.3597452502
 Cu        18.5784849490       11.9639712267       12.3343644575
 Cu        18.6012732026       12.2649819041       14.8545292237
 Cu        16.0787029557       12.3635381442       18.2381153073
 Cu        15.0674826154       11.5798091563       14.8724412370
 Cu        13.6570649197       12.1479963192       18.9040477800
 Cu        16.2056326723       11.4925689919       11.4691593826
 Cu        13.7822817624       11.0935747833       10.7614680703
 Cu        12.1559745020       11.6058904166       16.9581850864
 Cu        12.2195314275       11.0783227915       12.7604491348
 Cu        10.7788643357       11.2010807076       14.8408396247
 Cu        16.5926810278       13.2992025682       15.9603410665
 Cu        16.6518291365       12.9596303841       13.4481390728
 Cu        14.2066608872       13.0382473644       16.7634007417
 Cu        14.2788460721       12.5120508690       12.6572341970
 Cu        12.7485746089       12.5665668769       14.7226095769
 Cu        18.6930614926       14.6575937675       15.8347647730
 Cu        18.7451576065       14.2842507944       13.2859548968
 Cu        17.1426738930       14.7014678404       17.9578806610
 Cu        17.2724708180       13.8345727922       11.1788813989
 Cu        14.6986347018       14.4564673800       18.7432585917
 Cu        14.7517206075       13.9367151538       14.5985235963
 Cu        14.8181268928       13.3812337953       10.3573460943
 Cu        12.2302487970       13.9930251945       17.9632533652
 Cu        12.3366214094       13.1452768403       11.1507618722
 Cu        10.7503048742       13.5120730370       15.8550728548
 Cu        10.7917217151       13.1891925730       13.2703748577
 Cu        16.7371576157       15.3001171439       14.4242918429
 Cu        15.2116527449       15.3666231263       16.4604338832
 Cu        15.2972651258       14.8230870143       12.3675828754
 Cu        12.8212301208       14.9063771704       15.6884617604
 Cu        12.8798710871       14.5967032374       13.1674619572
 Cu        18.7080188562       16.6416611375       14.2892312005
 Cu        17.2792437703       16.7715318400       16.3694624351
 Cu        17.3787512865       16.2150370502       12.1481005025
 Cu        15.6997711802       16.7405902461       18.3797798298
 Cu        13.2533290480       16.3366349567       17.6888054281
 Cu        15.8412958471       15.6815657441       10.2041934703
 Cu        14.3789470757       16.3670069401       14.2379058175
 Cu        13.4169376090       15.5058149748       10.8911097187
 Cu        10.8294154091       15.5368367673       14.2868842369
 Cu        10.9380450700       15.8437029582       16.8097676592
 Cu        11.0269980990       15.2431959014       11.7602549091
 Cu        16.4815617277       17.7143872367       14.0677537404
 Cu        14.8430023824       17.8255485881       16.2327324152
 Cu        14.9639239894       17.2606685471       11.9997734476
 Cu        12.4045200406       17.3350861410       15.3106060133
 Cu        12.5108644174       17.0534450692       12.8165471982
 Zr        14.0489297208       18.9927256859       14.0894116490
  O        13.7341425922       20.7025601448       15.0221138039
  C        14.3380194673       19.8813111537       16.2664667668
  O        14.4349896409       20.0717568574       17.4572532087
      58
 i =       53, E =     -2681.7689756458
 Zr        15.4836122694        8.9437580915       15.1727848795
 Cu        17.0113496879       10.8597839608       16.3340866427
 Cu        17.0769614555       10.5451225486       13.7440227995
 Cu        14.5572559129       10.5644850133       17.1166560965
 Cu        14.6279396372       10.0798246474       12.9076480054
 Cu        13.0728879449       10.0751460343       15.0113927032
 Cu        18.4120342115       12.6650645817       17.3939710469
 Cu        18.5579313166       12.0220846080       12.3705452408
 Cu        18.5806306728       12.3105112673       14.8976801740
 Cu        16.0580606948       12.3562952181       18.2354374672
 Cu        15.0763721461       11.5622230875       14.8527231156
 Cu        13.6542697570       12.1090154571       18.8827259763
 Cu        16.2245407259       11.5267608810       11.4708328586
 Cu        13.8198822677       11.1242408120       10.7473734143
 Cu        12.1753592064       11.5383272698       16.9313677808
 Cu        12.2322931910       11.0755597630       12.7343327018
 Cu        10.7968789002       11.1444356446       14.8199740439
 Cu        16.5621394159       13.3142166968       15.9740954096
 Cu        16.6417093177       12.9857636553       13.4628986370
 Cu        14.1900684788       13.0052717073       16.7408272588
 Cu        14.2763248228       12.5193217317       12.6504312393
 Cu        12.7497008967       12.5251072453       14.7034966646
 Cu        18.6414509933       14.6939461990       15.8882111945
 Cu        18.7122846788       14.3428895333       13.3337870650
 Cu        17.0458422387       14.7327381983       17.9589072585
 Cu        17.2550498181       13.8712688084       11.2146294142
 Cu        14.6319388082       14.4413082063       18.7118726502
 Cu        14.7281094745       13.9241780538       14.5856188709
 Cu        14.8221487480       13.4154930368       10.3837353280
 Cu        12.2104584989       13.9209150175       17.9346718322
 Cu        12.3510738583       13.1360274957       11.1645695168
 Cu        10.7499615489       13.4196933904       15.8635917024
 Cu        10.7898404849       13.1409828054       13.2840091000
 Cu        16.6977703023       15.3214218571       14.4454976393
 Cu        15.1567678599       15.3813363455       16.4493444728
 Cu        15.2740217443       14.8353532670       12.3886012514
 Cu        12.7884739584       14.8530431769       15.6782077314
 Cu        12.8516450758       14.5565320756       13.1706488299
 Cu        18.6513603869       16.6776705572       14.3288636647
 Cu        17.1944051898       16.8016054010       16.3748012255
 Cu        17.3419424333       16.2328218559       12.1854142754
 Cu        15.6038215495       16.7442319664       18.3750917230
 Cu        13.1907265581       16.3111269583       17.6474614719
 Cu        15.8221657825       15.7144640461       10.2413752292
 Cu        14.3377278924       16.3330446963       14.2508534794
 Cu        13.3804046051       15.5022161333       10.9145350158
 Cu        10.7872861499       15.4730562047       14.2899933653
 Cu        10.8875276074       15.7420548385       16.8083665633
 Cu        10.9966247239       15.1763315237       11.7756759288
 Cu        16.3992071509       17.7488043227       14.0316194255
 Cu        14.7999053542       17.8421072007       16.2297846645
 Cu        14.8953829958       17.2635671267       12.0201301603
 Cu        12.3167272110       17.2717645831       15.3341757046
 Cu        12.4333739500       16.9944636696       12.8329000540
 Zr        13.9701423281       18.9683336237       14.0874055982
  O        13.8591010997       20.6912044463       15.0634495469
  C        14.4203745042       19.8781776018       16.2523943446
  O        14.6849896409       20.1527101031       17.4314624656
      58
 i =       54, E =     -2681.7813963371
 Zr        15.4972677815        8.9930117305       15.1902500260
 Cu        16.9736198126       10.8530379676       16.3101861100
 Cu        17.0741216993       10.5471321680       13.7509448855
 Cu        14.5804674330       10.5426333092       17.0947307236
 Cu        14.6164790229       10.0829628221       12.9050137950
 Cu        13.0652118787       10.0841957036       15.0179096702
 Cu        18.3850923097       12.6831128200       17.3828686448
 Cu        18.5097206175       12.0325888237       12.3725234532
 Cu        18.5770718461       12.3039078190       14.8989323684
 Cu        16.0728852078       12.3517894197       18.2229111689
 Cu        15.0872291123       11.5355373329       14.8503852352
 Cu        13.6614898866       12.1180164728       18.8816106322
 Cu        16.2173926581       11.5255587341       11.4782935956
 Cu        13.8290370918       11.1430261928       10.7711930616
 Cu        12.1776184766       11.5533086781       16.9222884460
 Cu        12.2285657226       11.1006745869       12.7388749369
 Cu        10.8046739423       11.1637327695       14.8276419063
 Cu        16.5752055523       13.3101357338       15.9873882447
 Cu        16.6440070584       12.9870308775       13.4553572965
 Cu        14.1881143778       13.0162180509       16.7301711085
 Cu        14.2592042874       12.5309859364       12.6471784432
 Cu        12.7503509914       12.5367345126       14.6899825639
 Cu        18.6346718963       14.6778598689       15.9040718545
 Cu        18.6990304598       14.3634383542       13.3371143237
 Cu        17.0354661941       14.7407556369       17.9372380397
 Cu        17.2387103198       13.8661846288       11.2248077873
 Cu        14.6247987742       14.4415968310       18.6983588916
 Cu        14.7235765284       13.9277916057       14.5521948935
 Cu        14.8201615966       13.4209872084       10.4130039322
 Cu        12.2176623445       13.9251106458       17.9148367389
 Cu        12.3751912178       13.1447609399       11.1982038197
 Cu        10.7709152263       13.4329599861       15.8767443410
 Cu        10.8111157255       13.1562491440       13.2931077538
 Cu        16.7116512872       15.3193921326       14.4438199414
 Cu        15.1620228471       15.4154913743       16.4503098556
 Cu        15.2795296367       14.8292480886       12.3945989140
 Cu        12.8017467526       14.8551903504       15.6841667495
 Cu        12.8509682530       14.5467909345       13.1638461258
 Cu        18.6675961617       16.6637105327       14.3315967345
 Cu        17.1877042128       16.7948912426       16.3701717108
 Cu        17.3482403244       16.2144894766       12.2062613194
 Cu        15.6024984145       16.7314074669       18.3631491409
 Cu        13.2123729477       16.3108864142       17.6350217129
 Cu        15.8266974145       15.7143632376       10.2592827590
 Cu        14.3785797418       16.2887953280       14.2672137351
 Cu        13.3771100275       15.5011181312       10.9291370093
 Cu        10.8076305507       15.4849727720       14.2825589391
 Cu        10.9023004479       15.7575396915       16.8041572907
 Cu        11.0215221664       15.1574247336       11.7909365694
 Cu        16.3944539446       17.7721419286       14.0068005889
 Cu        14.8212784979       17.8956009291       16.2517649568
 Cu        14.9247858670       17.2624343121       12.0283073397
 Cu        12.2919860417       17.2385771551       15.3497633152
 Cu        12.4287460429       16.9724387206       12.8281691636
 Zr        14.0090122907       18.9509346487       14.0622553238
  O        14.0767238477       20.6541139844       15.2322772163
  C        14.3061791946       19.8756793203       16.2378871164
  O        14.4349896409       20.2853800489       17.3934585101
      58
 i =       55, E =     -2681.7849662020
 Zr        15.4427634879        8.9800333151       15.2121010848
 Cu        16.9994389001       10.8357604459       16.3161174015
 Cu        17.0500761778       10.5159293509       13.7476256048
 Cu        14.5503513592       10.5818886134       17.1237903957
 Cu        14.5952991102       10.0664782792       12.9283334639
 Cu        13.0457735938       10.1117689136       15.0361765034
 Cu        18.4420451256       12.6432829940       17.3499939168
 Cu        18.5274993721       11.9824275295       12.3436051457
 Cu        18.5937576023       12.2700703238       14.8615225040
 Cu        16.0923951059       12.3509134603       18.2237146568
 Cu        15.0784022011       11.5471753641       14.8649877928
 Cu        13.6692359485       12.1397995841       18.8984103989
 Cu        16.1996357771       11.4925985297       11.4759370222
 Cu        13.7947585369       11.1264403086       10.7752730664
 Cu        12.1607399561       11.6060514615       16.9438937085
 Cu        12.2173477860       11.1012360099       12.7536334148
 Cu        10.7902216801       11.2032697848       14.8406939586
 Cu        16.6002983405       13.2946445834       15.9733391394
 Cu        16.6500110026       12.9626060086       13.4431185827
 Cu        14.2041897644       13.0399481125       16.7492335334
 Cu        14.2639800405       12.5217440840       12.6540636564
 Cu        12.7502026267       12.5672185467       14.7063569109
 Cu        18.6744029145       14.6546252678       15.8579537796
 Cu        18.7260126193       14.3144979292       13.2982173660
 Cu        17.1116067803       14.7090466788       17.9388659112
 Cu        17.2530616811       13.8357606846       11.1980069134
 Cu        14.6779449848       14.4538828975       18.7247949069
 Cu        14.7428876416       13.9346253517       14.5654105216
 Cu        14.8159999295       13.3995328563       10.3931701053
 Cu        12.2334085909       13.9736933020       17.9400027883
 Cu        12.3603684900       13.1588915462       11.1870786249
 Cu        10.7711651870       13.5023382756       15.8653588691
 Cu        10.8109105438       13.1895945805       13.2778999683
 Cu        16.7415080311       15.2998633767       14.4265992924
 Cu        15.2058385741       15.3924895715       16.4625557905
 Cu        15.2978843574       14.8231696870       12.3793909015
 Cu        12.8297103823       14.8968866554       15.6966179798
 Cu        12.8747608731       14.5789564126       13.1660511360
 Cu        18.7116239897       16.6374377724       14.2989018154
 Cu        17.2555202785       16.7688487251       16.3666955547
 Cu        17.3783854618       16.2062013555       12.1767482569
 Cu        15.6827538428       16.7247891049       18.3702284984
 Cu        13.2569209362       16.3231230268       17.6789959310
 Cu        15.8454644871       15.6893279537       10.2317851643
 Cu        14.4059138729       16.3189852872       14.2532276239
 Cu        13.4081452378       15.5101156841       10.9135666365
 Cu        10.8422405207       15.5281831945       14.2905031124
 Cu        10.9407896895       15.8289416098       16.8154704708
 Cu        11.0456530162       15.2195580765       11.7889148607
 Cu        16.4601219036       17.7402663445       14.0422227969
 Cu        14.8442868451       17.8399591602       16.2504041642
 Cu        14.9737195486       17.2646761436       12.0124778735
 Cu        12.3591984980       17.2906284953       15.3314116190
 Cu        12.4956136551       17.0243281360       12.8226740884
 Zr        14.0749639020       18.9953726024       14.0831950032
  O        13.9188498003       20.6929265538       15.1178107749
  C        14.2908205223       19.8670258612       16.2379113164
  O        14.3002243114       20.1985327816       17.3921843656
      58
 i =       56, E =     -2681.7872611150
 Zr        15.4591811924        8.9739662395       15.2040565158
 Cu        16.9939837677       10.8416065575       16.3165583633
 Cu        17.0604467845       10.5252588914       13.7495780564
 Cu        14.5559210568       10.5707733128       17.1162488915
 Cu        14.6068131252       10.0686929155       12.9222635444
 Cu        13.0534643184       10.1017332305       15.0338689259
 Cu        18.4276994845       12.6498310597       17.3605971604
 Cu        18.5304418694       11.9956304760       12.3488124605
 Cu        18.5910216951       12.2781615217       14.8704429908
 Cu        16.0830255833       12.3528924364       18.2245587806
 Cu        15.0805161726       11.5466923093       14.8611008134
 Cu        13.6619709978       12.1337774453       18.8940703055
 Cu        16.2089048328       11.5005764744       11.4754511915
 Cu        13.8074765422       11.1215596049       10.7741235149
 Cu        12.1642536430       11.5881190015       16.9382774873
 Cu        12.2252380504       11.0929982596       12.7516620396
 Cu        10.7946188247       11.1874557091       14.8363378130
 Cu        16.5920748806       13.3001437378       15.9769036648
 Cu        16.6491324933       12.9701848927       13.4459981267
 Cu        14.1968248532       13.0334715131       16.7452567603
 Cu        14.2640449212       12.5229497463       12.6502337931
 Cu        12.7488985302       12.5580646217       14.7020044453
 Cu        18.6645738801       14.6589665650       15.8676058845
 Cu        18.7187181572       14.3258135117       13.3059398346
 Cu        17.0956929682       14.7175987666       17.9406119693
 Cu        17.2501219980       13.8441596006       11.2010414735
 Cu        14.6640124426       14.4465036884       18.7213937743
 Cu        14.7358068414       13.9349224553       14.5637675906
 Cu        14.8183497182       13.4004043246       10.3930941175
 Cu        12.2263287639       13.9624244147       17.9352375244
 Cu        12.3618916611       13.1465810870       11.1834753560
 Cu        10.7668786222       13.4808794150       15.8677246694
 Cu        10.8083911945       13.1758120494       13.2790725078
 Cu        16.7306580418       15.3076930480       14.4314283413
 Cu        15.1914878094       15.3992971025       16.4608533111
 Cu        15.2917081901       14.8246626371       12.3811564674
 Cu        12.8165498899       14.8864849200       15.6915249163
 Cu        12.8658122051       14.5715249686       13.1622067615
 Cu        18.6985890688       16.6437399285       14.3065827379
 Cu        17.2388885930       16.7750063662       16.3703018329
 Cu        17.3685369539       16.2093238145       12.1814760539
 Cu        15.6600090730       16.7255026515       18.3732404978
 Cu        13.2405850006       16.3205704223       17.6684899208
 Cu        15.8364940632       15.6970160258       10.2353402005
 Cu        14.3932664408       16.3158528930       14.2586518263
 Cu        13.3977210534       15.5025465025       10.9131810222
 Cu        10.8280912840       15.5149982767       14.2829668613
 Cu        10.9242871577       15.8110337262       16.8080413888
 Cu        11.0351749987       15.1980921445       11.7809381361
 Cu        16.4428291542       17.7473387524       14.0370198211
 Cu        14.8403044579       17.8646571820       16.2568574316
 Cu        14.9578344973       17.2639949199       12.0175625727
 Cu        12.3428855283       17.2808308694       15.3395618872
 Cu        12.4708930690       17.0114532502       12.8230486392
 Zr        14.0491067080       18.9809275671       14.0749528106
  O        13.9656102748       20.6796436429       15.1587795640
  C        14.2828544650       19.8739666711       16.2425280751
  O        14.3424460381       20.2238753856       17.4034221106
      58
 i =       57, E =     -2681.7876981628
 Zr        15.4630604636        8.9740658064       15.2018461023
 Cu        16.9941906480       10.8416566933       16.3164780775
 Cu        17.0648456185       10.5284563768       13.7503618494
 Cu        14.5551332546       10.5688205536       17.1140709269
 Cu        14.6141817031       10.0676538816       12.9201567759
 Cu        13.0565631261       10.0985208406       15.0333895925
 Cu        18.4254540515       12.6495022211       17.3623729507
 Cu        18.5336930981       12.0011623864       12.3488495168
 Cu        18.5915445318       12.2817832750       14.8712570736
 Cu        16.0796408442       12.3527412525       18.2249462898
 Cu        15.0815154878       11.5461140361       14.8598098960
 Cu        13.6575541526       12.1316682292       18.8941264478
 Cu        16.2136850685       11.5032233276       11.4745442528
 Cu        13.8134943780       11.1167731798       10.7744486452
 Cu        12.1621819256       11.5850433579       16.9372677915
 Cu        12.2298188194       11.0877306041       12.7515108609
 Cu        10.7966963308       11.1806449044       14.8348952495
 Cu        16.5896106115       13.2999903969       15.9783025593
 Cu        16.6490239729       12.9721877490       13.4460167534
 Cu        14.1932641055       13.0323087912       16.7449025087
 Cu        14.2644496341       12.5219040586       12.6486604694
 Cu        12.7477087073       12.5559142386       14.7008520767
 Cu        18.6617552525       14.6590777474       15.8698709861
 Cu        18.7162582719       14.3302168669       13.3057291789
 Cu        17.0939376879       14.7172047495       17.9431219151
 Cu        17.2493975189       13.8477060997       11.2002533261
 Cu        14.6601428652       14.4420486866       18.7229352632
 Cu        14.7333743778       13.9347006785       14.5638746405
 Cu        14.8184146394       13.3985847493       10.3907656071
 Cu        12.2229677535       13.9616790034       17.9348544722
 Cu        12.3617332301       13.1402896383       11.1806929846
 Cu        10.7645733060       13.4779032582       15.8666894972
 Cu        10.8071943334       13.1694065592       13.2770709650
 Cu        16.7276485633       15.3093982361       14.4331509701
 Cu        15.1864814118       15.4008628227       16.4620848481
 Cu        15.2893409439       14.8237491986       12.3804648345
 Cu        12.8125188173       14.8856843950       15.6913428228
 Cu        12.8626671635       14.5687027639       13.1603140928
 Cu        18.6961021474       16.6450358381       14.3086914500
 Cu        17.2348254090       16.7741528247       16.3740206823
 Cu        17.3646613930       16.2123915088       12.1829281761
 Cu        15.6534306999       16.7230801216       18.3759411287
 Cu        13.2355993614       16.3191957842       17.6688002627
 Cu        15.8320919096       15.6977226604       10.2341357302
 Cu        14.3896432794       16.3139127127       14.2604714507
 Cu        13.3932540484       15.4987960612       10.9118844696
 Cu        10.8261911062       15.5115711936       14.2796569684
 Cu        10.9183909819       15.8110515622       16.8055701980
 Cu        11.0312158584       15.1902535699       11.7768374253
 Cu        16.4384591391       17.7468965488       14.0392158841
 Cu        14.8360038766       17.8732651237       16.2603957935
 Cu        14.9541676278       17.2626271503       12.0171514657
 Cu        12.3394928752       17.2800642095       15.3421982431
 Cu        12.4629114357       17.0075404928       12.8233202332
 Zr        14.0382802668       18.9676624537       14.0699942187
  O        13.9823336262       20.6675723848       15.1788742380
  C        14.2772756211       19.8814586281       16.2420264301
  O        14.3430416105       20.2372391509       17.4062510850
      58
 i =       58, E =     -2681.7878345009
 Zr        15.4672609233        8.9727797666       15.1989322259
 Cu        16.9948029950       10.8423752888       16.3168822049
 Cu        17.0677650934       10.5310278817       13.7500619641
 Cu        14.5563885774       10.5667893114       17.1119172149
 Cu        14.6196401174       10.0670484445       12.9170267165
 Cu        13.0602310281       10.0943300497       15.0294168659
 Cu        18.4228074820       12.6523640489       17.3648089179
 Cu        18.5356743309       12.0065663461       12.3514086594
 Cu        18.5901585213       12.2866209358       14.8738628446
 Cu        16.0771704483       12.3521559685       18.2251793518
 Cu        15.0824705490       11.5450430105       14.8582297169
 Cu        13.6553961372       12.1263636653       18.8930132358
 Cu        16.2170439653       11.5057541467       11.4738258834
 Cu        13.8176218969       11.1164006930       10.7714568440
 Cu        12.1620478110       11.5771489179       16.9350396629
 Cu        12.2326771277       11.0840216255       12.7484827179
 Cu        10.7987423552       11.1720519135       14.8321465857
 Cu        16.5865937562       13.3004986723       15.9790492039
 Cu        16.6482196823       12.9739523919       13.4464387442
 Cu        14.1908315342       13.0287642549       16.7441719798
 Cu        14.2652965827       12.5207319567       12.6474823564
 Cu        12.7471812782       12.5513457304       14.6996493211
 Cu        18.6566695693       14.6627409462       15.8729373777
 Cu        18.7135816669       14.3348562993       13.3077284945
 Cu        17.0876174811       14.7183279742       17.9446152114
 Cu        17.2484599925       13.8508489658       11.2018654788
 Cu        14.6539096355       14.4393389511       18.7225171483
 Cu        14.7308649813       13.9325719276       14.5640470869
 Cu        14.8183798728       13.3999908627       10.3903598716
 Cu        12.2194181070       13.9547703247       17.9334415929
 Cu        12.3623333196       13.1374777581       11.1791361199
 Cu        10.7631742906       13.4701927435       15.8648421873
 Cu        10.8062152405       13.1622646072       13.2756140908
 Cu        16.7230247759       15.3101147123       14.4345849236
 Cu        15.1803513091       15.3989248599       16.4623604613
 Cu        15.2863791919       14.8244232026       12.3813604765
 Cu        12.8083495996       14.8812012325       15.6910162158
 Cu        12.8598500105       14.5643686052       13.1598312685
 Cu        18.6895233568       16.6485178482       14.3113975551
 Cu        17.2270516224       16.7758728736       16.3758348301
 Cu        17.3606826442       16.2153030317       12.1844527669
 Cu        15.6432917638       16.7227050607       18.3756978338
 Cu        13.2278237830       16.3151830093       17.6679007523
 Cu        15.8293815127       15.6990400619       10.2355374271
 Cu        14.3826881744       16.3111933568       14.2611570901
 Cu        13.3896401788       15.4983253343       10.9127755577
 Cu        10.8224607133       15.5043700140       14.2796255537
 Cu        10.9116718567       15.8030730736       16.8054735565
 Cu        11.0273224597       15.1842094076       11.7766886390
 Cu        16.4299072073       17.7463961888       14.0398963016
 Cu        14.8269566991       17.8719413671       16.2603682785
 Cu        14.9475754389       17.2625562938       12.0185994372
 Cu        12.3325866341       17.2761609239       15.3439657719
 Cu        12.4555298626       17.0029137271       12.8250206651
 Zr        14.0282961839       18.9606426908       14.0721973750
  O        13.9976126515       20.6662800262       15.1818240474
  C        14.2962227772       19.8881806135       16.2423942045
  O        14.3673052200       20.2488029429       17.4037121255
      58
 i =       59, E =     -2681.7869843262
 Zr        15.5084720956        8.9610128925       15.1687164915
 Cu        17.0007508472       10.8483716518       16.3214331728
 Cu        17.0970432489       10.5538691254       13.7465260676
 Cu        14.5673744220       10.5436452552       17.0911242873
 Cu        14.6679602131       10.0612002407       12.8873016738
 Cu        13.0934168726       10.0536354211       14.9941024632
 Cu        18.3978687936       12.6759777552       17.3874664496
 Cu        18.5557134862       12.0552423352       12.3735237190
 Cu        18.5791787374       12.3290296971       14.8981513023
 Cu        16.0529162000       12.3448367394       18.2279613912
 Cu        15.0906290512       11.5356126587       14.8428421044
 Cu        13.6361961533       12.0744952873       18.8805859980
 Cu        16.2477243749       11.5285904098       11.4658078567
 Cu        13.8546901686       11.1129835394       10.7440013697
 Cu        12.1630873268       11.5032027711       16.9141140077
 Cu        12.2583616263       11.0484750635       12.7205812330
 Cu        10.8165366832       11.0937121168       14.8059929836
 Cu        16.5580497890       13.3056930388       15.9857977261
 Cu        16.6412151989       12.9900304371       13.4518974292
 Cu        14.1687786702       12.9946923889       16.7370502653
 Cu        14.2736866320       12.5102031502       12.6362967174
 Cu        12.7431170451       12.5070404466       14.6877028822
 Cu        18.6100067785       14.6964990901       15.9018239571
 Cu        18.6891893766       14.3762551171       13.3285257200
 Cu        17.0288882791       14.7271563489       17.9602362316
 Cu        17.2404150170       13.8808827622       11.2165113893
 Cu        14.5972417627       14.4131758682       18.7184128860
 Cu        14.7071704897       13.9137995853       14.5668643549
 Cu        14.8194608704       13.4137602658       10.3855019415
 Cu        12.1871820756       13.8897910314       17.9226090980
 Cu        12.3656578710       13.1100597622       11.1633128241
 Cu        10.7488199815       13.3929610190       15.8502109301
 Cu        10.7952803662       13.0979337904       13.2637910949
 Cu        16.6792068587       15.3188820537       14.4489465390
 Cu        15.1239266900       15.3821927906       16.4653448397
 Cu        15.2591861145       14.8315683836       12.3894658993
 Cu        12.7674729355       14.8370448867       15.6871515887
 Cu        12.8326191152       14.5263364998       13.1563641778
 Cu        18.6292280800       16.6816556926       14.3376483375
 Cu        17.1571364842       16.7912727507       16.3933111199
 Cu        17.3239084906       16.2427839847       12.1986096379
 Cu        15.5537495787       16.7181670785       18.3789504328
 Cu        13.1560961095       16.2794147615       17.6591774140
 Cu        15.8031533646       15.7166270117       10.2486019517
 Cu        14.3171742520       16.2904874642       14.2701782291
 Cu        13.3563620086       15.4921362483       10.9204733568
 Cu        10.7824961450       15.4375373211       14.2805539491
 Cu        10.8487269403       15.7224760388       16.8052273071
 Cu        10.9894610782       15.1276863757       11.7739765727
 Cu        16.3536804060       17.7433142900       14.0469422988
 Cu        14.7502175247       17.8630740473       16.2654454631
 Cu        14.8824071462       17.2630039154       12.0356463675
 Cu        12.2685523661       17.2399508281       15.3639467891
 Cu        12.3840456568       16.9602811783       12.8427695492
 Zr        13.9395919954       18.9096865704       14.0939945612
  O        14.1051618925       20.6642541221       15.1842016184
  C        14.4571975579       19.9431980520       16.2402791736
  O        14.6173052200       20.3449284883       17.3776512983
      58
 i =       60, E =     -2681.7880862155
 Zr        15.4791041883        8.9696116231       15.1929436292
 Cu        16.9985531632       10.8437926295       16.3197606099
 Cu        17.0776314706       10.5363651867       13.7496543035
 Cu        14.5570228983       10.5631633532       17.1071973574
 Cu        14.6368315676       10.0623044001       12.9096903184
 Cu        13.0711514404       10.0819242638       15.0189421131
 Cu        18.4182629172       12.6593429747       17.3691482709
 Cu        18.5443198506       12.0201257887       12.3573596811
 Cu        18.5879781038       12.3007811722       14.8797326287
 Cu        16.0698923644       12.3507281054       18.2262944665
 Cu        15.0854365828       11.5420871613       14.8544795648
 Cu        13.6484033020       12.1112764229       18.8894007522
 Cu        16.2272013241       11.5096574025       11.4708436382
 Cu        13.8289782773       11.1122491361       10.7623902952
 Cu        12.1601232585       11.5567143580       16.9287663579
 Cu        12.2422330324       11.0693255278       12.7391082531
 Cu        10.8046029097       11.1463394745       14.8225518141
 Cu        16.5783336951       13.3013311854       15.9804544145
 Cu        16.6464426703       12.9768094160       13.4470810379
 Cu        14.1836499579       13.0195755169       16.7429261976
 Cu        14.2692062166       12.5148077032       12.6438555650
 Cu        12.7459318506       12.5369620962       14.6954367472
 Cu        18.6418720683       14.6750407511       15.8788751825
 Cu        18.7062183690       14.3469597130       13.3110782944
 Cu        17.0714688248       14.7196896476       17.9490433763
 Cu        17.2465423322       13.8582992967       11.2048849311
 Cu        14.6367588603       14.4329760142       18.7224275644
 Cu        14.7233225202       13.9261924388       14.5651235597
 Cu        14.8185153744       13.4015799808       10.3869855666
 Cu        12.2071352320       13.9361941907       17.9306479746
 Cu        12.3634835018       13.1267316865       11.1722504907
 Cu        10.7579162504       13.4474806000       15.8557846481
 Cu        10.8030783652       13.1397315472       13.2675211662
 Cu        16.7084459544       15.3114439757       14.4372141885
 Cu        15.1620093744       15.3922598349       16.4638314146
 Cu        15.2774245218       14.8253699639       12.3823090246
 Cu        12.7951851385       14.8685646515       15.6901545207
 Cu        12.8518395075       14.5514801109       13.1578408086
 Cu        18.6689431926       16.6598404970       14.3164860994
 Cu        17.2056929070       16.7794390581       16.3805548885
 Cu        17.3476974360       16.2241213283       12.1863624889
 Cu        15.6177053161       16.7204388529       18.3773897056
 Cu        13.2037438927       16.3036961255       17.6689012028
 Cu        15.8205845988       15.7022753396       10.2375325796
 Cu        14.3602944778       16.3056851320       14.2626333836
 Cu        13.3802145123       15.4953308736       10.9135379722
 Cu        10.8108014915       15.4822659078       14.2785200301
 Cu        10.8904687528       15.7795779662       16.8041888485
 Cu        11.0167478267       15.1669144106       11.7744705687
 Cu        16.4051518264       17.7428425983       14.0449586996
 Cu        14.7979222295       17.8649957162       16.2661477256
 Cu        14.9263350020       17.2631762373       12.0235474102
 Cu        12.3125424309       17.2666864216       15.3479614458
 Cu        12.4353350003       16.9907423811       12.8294426718
 Zr        14.0054301144       18.9504291563       14.0849700349
  O        14.0315878077       20.6688038334       15.1809925175
  C        14.3523257811       19.9046130143       16.2452260264
  O        14.4497749872       20.2761168081       17.3978645536
      58
 i =       61, E =     -2681.7882300982
 Zr        15.4823603215        8.9720893781       15.1979980606
 Cu        16.9993726367       10.8481684279       16.3232472748
 Cu        17.0809947138       10.5388099972       13.7524260453
 Cu        14.5546554532       10.5678295984       17.1092513915
 Cu        14.6399336796       10.0611204488       12.9125212367
 Cu        13.0732435689       10.0830718606       15.0206666156
 Cu        18.4175400602       12.6649930197       17.3696012342
 Cu        18.5465737866       12.0238675090       12.3594450308
 Cu        18.5881032163       12.3061634601       14.8814968274
 Cu        16.0675752851       12.3552064521       18.2270234770
 Cu        15.0863664440       11.5434194031       14.8560092776
 Cu        13.6459644586       12.1148219979       18.8889682709
 Cu        16.2300362553       11.5083867163       11.4717925739
 Cu        13.8318042241       11.1097982467       10.7626449311
 Cu        12.1579675896       11.5601940535       16.9285631994
 Cu        12.2446764943       11.0655169719       12.7384881489
 Cu        10.8056234162       11.1441269726       14.8212365621
 Cu        16.5766495246       13.3039923755       15.9806607399
 Cu        16.6463010198       12.9776980851       13.4475084126
 Cu        14.1816793694       13.0224205778       16.7431504553
 Cu        14.2709144706       12.5127273790       12.6440037270
 Cu        12.7460356380       12.5359349121       14.6944718991
 Cu        18.6386208346       14.6820344299       15.8785414252
 Cu        18.7043240015       14.3518003378       13.3108906894
 Cu        17.0670063253       14.7233901104       17.9491796553
 Cu        17.2465415285       13.8591736656       11.2053333580
 Cu        14.6327502466       14.4378677908       18.7221667225
 Cu        14.7217964278       13.9262849476       14.5647762411
 Cu        14.8184481684       13.3993972587       10.3860907532
 Cu        12.2027971554       13.9371310062       17.9292481627
 Cu        12.3642289515       13.1227493249       11.1704942987
 Cu        10.7556473537       13.4461118080       15.8503090077
 Cu        10.8034558622       13.1347485754       13.2631622693
 Cu        16.7046290871       15.3132612400       14.4357738869
 Cu        15.1587472057       15.3932845250       16.4626704409
 Cu        15.2753931223       14.8247397460       12.3810592200
 Cu        12.7926715251       14.8687687072       15.6884860717
 Cu        12.8508473615       14.5488254317       13.1561313268
 Cu        18.6630770862       16.6651299091       14.3136711491
 Cu        17.2006132375       16.7819020435       16.3781200783
 Cu        17.3432193959       16.2262938895       12.1844462060
 Cu        15.6148491130       16.7235375004       18.3775332657
 Cu        13.1981970033       16.3046558480       17.6687386898
 Cu        15.8189619744       15.6998444402       10.2363346517
 Cu        14.3560175253       16.3059149094       14.2595682218
 Cu        13.3785652945       15.4925917805       10.9107494413
 Cu        10.8088142070       15.4790575292       14.2744415549
 Cu        10.8871281407       15.7779427323       16.8004469900
 Cu        11.0159331483       15.1631961631       11.7719112401
 Cu        16.3996375205       17.7436420670       14.0423330734
 Cu        14.7894033337       17.8602638039       16.2684824078
 Cu        14.9193434971       17.2632454087       12.0206754336
 Cu        12.3059275308       17.2661265661       15.3423766580
 Cu        12.4341287548       16.9887234071       12.8249266031
 Zr        14.0035057830       18.9536417439       14.0889284524
  O        14.0389855257       20.6645877044       15.1933116580
  C        14.3629012262       19.8944238052       16.2548040682
  O        14.4806469233       20.2623352168       17.4096866355
      58
 i =       62, E =     -2681.7883277315
 Zr        15.4836046499        8.9723019865       15.1997201839
 Cu        17.0008534873       10.8470534169       16.3239704903
 Cu        17.0830732722       10.5377438483       13.7527218723
 Cu        14.5532964614       10.5679286034       17.1092103872
 Cu        14.6415224293       10.0584531549       12.9129995094
 Cu        13.0739721484       10.0820298623       15.0215427220
 Cu        18.4199028733       12.6647643730       17.3668420930
 Cu        18.5484333071       12.0243691650       12.3573119327
 Cu        18.5903672483       12.3060930780       14.8794499460
 Cu        16.0676407704       12.3544668806       18.2270872382
 Cu        15.0872027250       11.5422527440       14.8560654239
 Cu        13.6445373079       12.1131786837       18.8889920703
 Cu        16.2310778502       11.5066768244       11.4711201389
 Cu        13.8325995869       11.1072583300       10.7628871932
 Cu        12.1565048871       11.5615420513       16.9276870757
 Cu        12.2456990390       11.0612121818       12.7376667452
 Cu        10.8061668838       11.1422162953       14.8198419597
 Cu        16.5771828523       13.3026273585       15.9805664212
 Cu        16.6468365753       12.9763850442       13.4468158617
 Cu        14.1805754093       13.0228930096       16.7437168485
 Cu        14.2713797226       12.5105575322       12.6435311471
 Cu        12.7460101054       12.5341739690       14.6929505299
 Cu        18.6377400354       14.6834366807       15.8768748538
 Cu        18.7036423377       14.3526328577       13.3091005914
 Cu        17.0681867180       14.7201491901       17.9504524756
 Cu        17.2462832763       13.8592670853       11.2040941286
 Cu        14.6319955309       14.4366292564       18.7247986099
 Cu        14.7206914591       13.9257377142       14.5644325881
 Cu        14.8187831999       13.3973049651       10.3847727014
 Cu        12.1998097241       13.9363889414       17.9297460044
 Cu        12.3643941576       13.1199012193       11.1692586373
 Cu        10.7539207545       13.4444515129       15.8471401409
 Cu        10.8040493846       13.1319533306       13.2589211372
 Cu        16.7031724504       15.3125372433       14.4348914037
 Cu        15.1578769333       15.3912271279       16.4647875705
 Cu        15.2745046600       14.8236709754       12.3799266257
 Cu        12.7910504182       14.8676935093       15.6891405555
 Cu        12.8499311558       14.5479572809       13.1557894028
 Cu        18.6607412996       16.6668261574       14.3117990297
 Cu        17.1998075201       16.7788548383       16.3788030092
 Cu        17.3410816885       16.2274091788       12.1831648836
 Cu        15.6166164422       16.7196276448       18.3802144269
 Cu        13.1961940642       16.3021331356       17.6726287876
 Cu        15.8167163380       15.7006753727       10.2352164303
 Cu        14.3549514886       16.3056841979       14.2605563624
 Cu        13.3782658413       15.4907132265       10.9101309093
 Cu        10.8082633317       15.4779149775       14.2736117975
 Cu        10.8861008217       15.7765509689       16.7991174095
 Cu        11.0165342611       15.1622885977       11.7707429843
 Cu        16.3982743214       17.7423956892       14.0451846445
 Cu        14.7844328806       17.8556893879       16.2731684317
 Cu        14.9168695192       17.2633620522       12.0222754500
 Cu        12.3041840474       17.2658174567       15.3424857214
 Cu        12.4339636620       16.9885902455       12.8253030100
 Zr        14.0046640362       18.9574270878       14.0932082468
  O        14.0446634785       20.6695355919       15.1890016347
  C        14.3626036447       19.8954860263       16.2518862405
  O        14.4851692863       20.2663682753       17.4058205214
      58
 i =       63, E =     -2681.7884481826
 Zr        15.4888530678        8.9722229006       15.2037712706
 Cu        17.0038664409       10.8470131860       16.3262281782
 Cu        17.0891801762       10.5370208319       13.7546179147
 Cu        14.5513193992       10.5685788788       17.1093105442
 Cu        14.6468537989       10.0530310139       12.9154051419
 Cu        13.0774509570       10.0787252114       15.0233405273
 Cu        18.4224370953       12.6676232635       17.3622856754
 Cu        18.5525057612       12.0275430887       12.3544259087
 Cu        18.5939639003       12.3081437348       14.8762266756
 Cu        16.0662235837       12.3548564162       18.2269786497
 Cu        15.0896999656       11.5401839813       14.8566776911
 Cu        13.6396462539       12.1107077387       18.8877496415
 Cu        16.2347473980       11.5033714440       11.4710846141
 Cu        13.8366719489       11.0996333763       10.7640291099
 Cu        12.1539603143       11.5616808717       16.9243459107
 Cu        12.2503874536       11.0493551844       12.7360263187
 Cu        10.8087301211       11.1353003208       14.8154727247
 Cu        16.5768256858       13.3009232504       15.9799624133
 Cu        16.6472312312       12.9746425412       13.4455313327
 Cu        14.1769922649       13.0237203011       16.7440752474
 Cu        14.2731892173       12.5053928879       12.6425026636
 Cu        12.7461308732       12.5289546932       14.6890727866
 Cu        18.6335664014       14.6890943407       15.8727886031
 Cu        18.7004490529       14.3563488724       13.3057157515
 Cu        17.0680287732       14.7157557935       17.9526040055
 Cu        17.2447524990       13.8603420355       11.2015642961
 Cu        14.6274165275       14.4331445507       18.7303985170
 Cu        14.7173714600       13.9244640508       14.5631320448
 Cu        14.8199131290       13.3914082697       10.3822465167
 Cu        12.1908013838       13.9333377702       17.9283807436
 Cu        12.3658575461       13.1108548559       11.1663684007
 Cu        10.7490374024       13.4376197615       15.8378487696
 Cu        10.8064392500       13.1221501309       13.2478849097
 Cu        16.6970599712       15.3121473978       14.4329049410
 Cu        15.1531843040       15.3861905281       16.4687005482
 Cu        15.2708184233       14.8210856264       12.3778951159
 Cu        12.7851336584       14.8638940003       15.6883604508
 Cu        12.8476148005       14.5441761885       13.1536340633
 Cu        18.6515151310       16.6723253743       14.3075547434
 Cu        17.1936850733       16.7741171073       16.3794708388
 Cu        17.3331971190       16.2292806743       12.1804940905
 Cu        15.6155708416       16.7111606626       18.3855576447
 Cu        13.1887691624       16.2953071885       17.6787988243
 Cu        15.8099127639       15.7018185745       10.2340272300
 Cu        14.3489962514       16.3046378371       14.2629764982
 Cu        13.3760923804       15.4846682275       10.9078545046
 Cu        10.8052578708       15.4721081190       14.2683513344
 Cu        10.8802887363       15.7702676684       16.7933746971
 Cu        11.0171674141       15.1567797648       11.7661330912
 Cu        16.3906744860       17.7396584946       14.0492982886
 Cu        14.7706515689       17.8472321717       16.2838042603
 Cu        14.9081192247       17.2631698711       12.0264748895
 Cu        12.2964114208       17.2629388757       15.3421071858
 Cu        12.4309726674       16.9860263392       12.8239943459
 Zr        14.0018984390       18.9647883729       14.1049086863
  O        14.0653199451       20.6776880672       15.1890955182
  C        14.3742242162       19.8973969173       16.2533555933
  O        14.5087416890       20.2752908544       17.4032468444
      58
 i =       64, E =     -2681.7883408355
 Zr        15.5076435654        8.9709290397       15.2065879894
 Cu        17.0108318288       10.8499420410       16.3319231384
 Cu        17.1054867316       10.5409336394       13.7580127167
 Cu        14.5506761645       10.5648356314       17.1065623914
 Cu        14.6643505948       10.0428726155       12.9159524454
 Cu        13.0898980586       10.0645147493       15.0212982711
 Cu        18.4210682029       12.6799483841       17.3595385054
 Cu        18.5623470285       12.0424725594       12.3530111665
 Cu        18.5985470569       12.3200673740       14.8749788229
 Cu        16.0587589603       12.3553166834       18.2275267485
 Cu        15.0957791653       11.5353392571       14.8557687048
 Cu        13.6267665948       12.0987772550       18.8832540424
 Cu        16.2464581518       11.5026351303       11.4708417244
 Cu        13.8513152302       11.0845118010       10.7623200499
 Cu        12.1499484583       11.5486404787       16.9139704720
 Cu        12.2640834156       11.0206864999       12.7285075807
 Cu        10.8166820645       11.1085213675       14.8024519967
 Cu        16.5709045106       13.3000698592       15.9800432462
 Cu        16.6466263658       12.9758009837       13.4446979566
 Cu        14.1663336167       13.0191377210       16.7430807434
 Cu        14.2776182600       12.4945212110       12.6391686272
 Cu        12.7455876605       12.5109961882       14.6796803876
 Cu        18.6184601260       14.7064576810       15.8702919873
 Cu        18.6901913787       14.3719431759       13.3044157104
 Cu        17.0553435382       14.7115164642       17.9590102623
 Cu        17.2404004804       13.8690021278       11.1996060949
 Cu        14.6079595119       14.4222540054       18.7396207661
 Cu        14.7068748002       13.9192226134       14.5611736326
 Cu        14.8223869984       13.3825553518       10.3775653352
 Cu        12.1666740461       13.9156535136       17.9226402286
 Cu        12.3692461388       13.0888464652       11.1587455468
 Cu        10.7360844596       13.4106595772       15.8182247214
 Cu        10.8091437740       13.0916080589       13.2255642389
 Cu        16.6778317722       15.3141259061       14.4322768447
 Cu        15.1339348223       15.3745982711       16.4761383357
 Cu        15.2584646232       14.8177038351       12.3757512104
 Cu        12.7659407562       14.8480097277       15.6848373628
 Cu        12.8380343205       14.5303835977       13.1486773248
 Cu        18.6221403506       16.6908086327       14.3054986101
 Cu        17.1683125612       16.7696655071       16.3836663744
 Cu        17.3104413214       16.2372887693       12.1786098394
 Cu        15.5958156357       16.6955391939       18.3963263657
 Cu        13.1615053066       16.2766010208       17.6862915778
 Cu        15.7916883563       15.7075086915       10.2341059795
 Cu        14.3263957063       16.2991968160       14.2691662580
 Cu        13.3656155105       15.4713145867       10.9042314186
 Cu        10.7908192396       15.4488469979       14.2566535200
 Cu        10.8573299636       15.7443330753       16.7810216131
 Cu        11.0108775122       15.1358480973       11.7559424626
 Cu        16.3613918422       17.7357658149       14.0554811906
 Cu        14.7338455580       17.8316756548       16.3032239920
 Cu        14.8788973663       17.2630406181       12.0364125216
 Cu        12.2700751841       17.2498220383       15.3433899800
 Cu        12.4125799641       16.9733905686       12.8226966676
 Zr        13.9794077026       18.9695934479       14.1313354570
  O        14.1198220556       20.6898634027       15.1906567299
  C        14.4262478053       19.9049162290       16.2575676193
  O        14.6072613499       20.3015777450       17.3954007336
      58
 i =       65, E =     -2681.7884450352
 Zr        15.5016081393        8.9700808548       15.2026639533
 Cu        17.0077539848       10.8494473389       16.3289826245
 Cu        17.0980791260       10.5406441219       13.7560908002
 Cu        14.5534103191       10.5635803701       17.1068207071
 Cu        14.6574976098       10.0484429159       12.9145063067
 Cu        13.0856191594       10.0678040374       15.0204789624
 Cu        18.4190211455       12.6758656743       17.3635445822
 Cu        18.5568477952       12.0372688138       12.3549392860
 Cu        18.5950986741       12.3159414908       14.8770425933
 Cu        16.0611092899       12.3544772846       18.2272541972
 Cu        15.0930310391       11.5372488797       14.8555433902
 Cu        13.6321176715       12.1021477737       18.8844540817
 Cu        16.2416346236       11.5052268627       11.4713588385
 Cu        13.8463145820       11.0915016996       10.7623501076
 Cu        12.1530888550       11.5487729856       16.9171428162
 Cu        12.2592710343       11.0340477727       12.7312407540
 Cu        10.8136330314       11.1168320866       14.8066897906
 Cu        16.5721984841       13.3010633983       15.9800685643
 Cu        16.6462244845       12.9769742912       13.4457024146
 Cu        14.1708121943       13.0182550509       16.7425340350
 Cu        14.2754979436       12.5001123336       12.6404467126
 Cu        12.7456202371       12.5168604592       14.6836993343
 Cu        18.6243747039       14.6983229437       15.8730459737
 Cu        18.6938784970       14.3662548322       13.3070534986
 Cu        17.0574597358       14.7153908112       17.9557773012
 Cu        17.2416287039       13.8670558757       11.2014446076
 Cu        14.6143549211       14.4245934624       18.7344968562
 Cu        14.7109979258       13.9208850999       14.5622800973
 Cu        14.8214939391       13.3875289462       10.3807369832
 Cu        12.1771618129       13.9195422189       17.9234650333
 Cu        12.3678871626       13.0983200564       11.1622398141
 Cu        10.7415268317       13.4186369393       15.8284365661
 Cu        10.8073535872       13.1034631888       13.2377955704
 Cu        16.6851410573       15.3140522422       14.4342121791
 Cu        15.1399260873       15.3797678064       16.4722745369
 Cu        15.2627015663       14.8199159171       12.3780762839
 Cu        12.7728023656       14.8521141583       15.6850112621
 Cu        12.8414566312       14.5351336098       13.1507048670
 Cu        18.6335488944       16.6831617334       14.3094153408
 Cu        17.1762954819       16.7737495315       16.3829967658
 Cu        17.3191348422       16.2337299759       12.1814789923
 Cu        15.5983787406       16.7032076937       18.3912093014
 Cu        13.1714504128       16.2830324426       17.6794344658
 Cu        15.7984611764       15.7060852112       10.2356724161
 Cu        14.3338494469       16.3012487675       14.2678379317
 Cu        13.3687219614       15.4770331930       10.9064415086
 Cu        10.7946301729       15.4559125035       14.2609717705
 Cu        10.8640440877       15.7521937028       16.7858771205
 Cu        11.0118144889       15.1424601975       11.7602251170
 Cu        16.3712646276       17.7385433054       14.0514034648
 Cu        14.7513428297       17.8430563005       16.2926342085
 Cu        14.8901855344       17.2631712929       12.0331979544
 Cu        12.2797753437       17.2529125213       15.3446616888
 Cu        12.4172896995       16.9769964921       12.8238512574
 Zr        13.9832809384       18.9638905843       14.1200596425
  O        14.0979028741       20.6829610712       15.1908464784
  C        14.4102206414       19.9046662879       16.2569808323
  O        14.5732342471       20.2942656140       17.3985247439
      58
 i =       66, E =     -2681.7885209912
 Zr        15.5024744754        8.9697476855       15.2011997807
 Cu        17.0074877237       10.8506565115       16.3283592921
 Cu        17.0962728711       10.5421593670       13.7557281207
 Cu        14.5554241560       10.5618621498       17.1067761315
 Cu        14.6564017251       10.0501961879       12.9142986505
 Cu        13.0858290011       10.0665718455       15.0200005208
 Cu        18.4166244449       12.6766689581       17.3664447047
 Cu        18.5542317551       12.0373598657       12.3561786585
 Cu        18.5933094234       12.3162195499       14.8785151102
 Cu        16.0608536497       12.3540806117       18.2271269058
 Cu        15.0924037622       11.5378594046       14.8555465836
 Cu        13.6329899117       12.1027304233       18.8840029863
 Cu        16.2406646198       11.5070812442       11.4722032685
 Cu        13.8465673782       11.0928215481       10.7625511718
 Cu        12.1543118756       11.5463246422       16.9169546054
 Cu        12.2595480562       11.0373025544       12.7318207500
 Cu        10.8133655388       11.1157738848       14.8063093126
 Cu        16.5716118092       13.3020532541       15.9799877935
 Cu        16.6455481437       12.9788654496       13.4464986926
 Cu        14.1717261440       13.0164992266       16.7416224665
 Cu        14.2749824202       12.5018129492       12.6410007007
 Cu        12.7454686298       12.5167859479       14.6846461436
 Cu        18.6257874454       14.6963855567       15.8745416897
 Cu        18.6940668827       14.3665276968       13.3092010658
 Cu        17.0547043592       14.7181297579       17.9545263694
 Cu        17.2411505588       13.8683952523       11.2026712993
 Cu        14.6142381949       14.4239705478       18.7322015275
 Cu        14.7116796735       13.9210159773       14.5627732531
 Cu        14.8213869383       13.3886926056       10.3824441797
 Cu        12.1787800000       13.9181358671       17.9217177506
 Cu        12.3676613732       13.0997516431       11.1633616971
 Cu        10.7423174116       13.4185889786       15.8312261212
 Cu        10.8064346719       13.1044940734       13.2420777828
 Cu        16.6860947365       15.3151144637       14.4359928411
 Cu        15.1394471878       15.3814087091       16.4706896114
 Cu        15.2624164806       14.8208234923       12.3795060770
 Cu        12.7732462145       14.8513427950       15.6835406578
 Cu        12.8417439692       14.5350402774       13.1509236964
 Cu        18.6350899922       16.6824136142       14.3125061190
 Cu        17.1756107309       16.7764228737       16.3838383979
 Cu        17.3193456023       16.2332715878       12.1838888391
 Cu        15.5943224418       16.7055311433       18.3904191305
 Cu        13.1719334313       16.2836286802       17.6748986529
 Cu        15.7986466269       15.7057810264       10.2369482450
 Cu        14.3340879604       16.3017787151       14.2681546859
 Cu        13.3680811106       15.4773824825       10.9065499968
 Cu        10.7932291257       15.4547134524       14.2599814589
 Cu        10.8629494694       15.7532293705       16.7851983219
 Cu        11.0110625197       15.1418869775       11.7606702065
 Cu        16.3710825302       17.7404961864       14.0491328299
 Cu        14.7571077295       17.8481765058       16.2892991001
 Cu        14.8911422940       17.2632539275       12.0323977006
 Cu        12.2809514859       17.2516524192       15.3450440582
 Cu        12.4167524568       16.9760642685       12.8237014859
 Zr        13.9798554192       18.9604644800       14.1176148493
  O        14.0906160580       20.6782370346       15.1940435016
  C        14.4100133642       19.9037296532       16.2598058525
  O        14.5758550720       20.2913376425       17.4018165709
      58
 i =       67, E =     -2681.7886172578
 Zr        15.5062832629        8.9701321782       15.2005748388
 Cu        17.0085784564       10.8537509580       16.3277054245
 Cu        17.0938004493       10.5459521616       13.7553554333
 Cu        14.5588336131       10.5590225692       17.1072668715
 Cu        14.6550682834       10.0522612245       12.9152731390
 Cu        13.0871778828       10.0635198692       15.0201234673
 Cu        18.4125638811       12.6800353733       17.3711369609
 Cu        18.5489605050       12.0391899661       12.3578056088
 Cu        18.5906190908       12.3181121052       14.8805907837
 Cu        16.0601286389       12.3529071899       18.2267569703
 Cu        15.0917037908       11.5387374741       14.8561776521
 Cu        13.6337281194       12.1038429347       18.8829320699
 Cu        16.2390735932       11.5102957269       11.4742545155
 Cu        13.8480645432       11.0940949276       10.7637011873
 Cu        12.1553820141       11.5428729508       16.9161157426
 Cu        12.2611057500       11.0406355926       12.7326755278
 Cu        10.8134024757       11.1120639385       14.8044641449
 Cu        16.5705232688       13.3039441719       15.9797972260
 Cu        16.6441360832       12.9831168252       13.4479935326
 Cu        14.1729210952       13.0133290215       16.7398978761
 Cu        14.2741410446       12.5038795141       12.6425544417
 Cu        12.7451114762       12.5155495026       14.6860373068
 Cu        18.6282899597       14.6939423735       15.8768457130
 Cu        18.6938362619       14.3692314621       13.3131974438
 Cu        17.0478140501       14.7226618525       17.9527943207
 Cu        17.2395505769       13.8724957539       11.2051935026
 Cu        14.6125711280       14.4224901321       18.7282520653
 Cu        14.7124946512       13.9208810765       14.5637403894
 Cu        14.8211004436       13.3896575720       10.3857851635
 Cu        12.1795145587       13.9147247604       17.9170328225
 Cu        12.3674162712       13.1005482987       11.1656627310
 Cu        10.7424852803       13.4181211237       15.8341461003
 Cu        10.8050360538       13.1039667905       13.2480839874
 Cu        16.6872078350       15.3176247363       14.4397343544
 Cu        15.1375073747       15.3837093759       16.4684017981
 Cu        15.2605803795       14.8222306133       12.3820176338
 Cu        12.7731467550       14.8491163378       15.6802543384
 Cu        12.8418021329       14.5336164829       13.1512036763
 Cu        18.6363765108       16.6832103387       14.3187650644
 Cu        17.1728780493       16.7806661365       16.3867447642
 Cu        17.3172923974       16.2340065684       12.1890389344
 Cu        15.5849131590       16.7081558496       18.3909451320
 Cu        13.1709787668       16.2838345316       17.6668225170
 Cu        15.7972118093       15.7048872454       10.2390089419
 Cu        14.3342237172       16.3020508507       14.2688029881
 Cu        13.3659113823       15.4761925337       10.9058128757
 Cu        10.7893566668       15.4506874280       14.2562612251
 Cu        10.8595354498       15.7551350992       16.7818435960
 Cu        11.0095712277       15.1392427351       11.7608948284
 Cu        16.3694422312       17.7445576361       14.0451929292
 Cu        14.7671619845       17.8545074013       16.2842802690
 Cu        14.8905741912       17.2632844432       12.0303673880
 Cu        12.2816718377       17.2478856093       15.3441306083
 Cu        12.4159390911       16.9728227768       12.8223740823
 Zr        13.9726330369       18.9538927685       14.1145016329
  O        14.0715538303       20.6670734109       15.2004456973
  C        14.4124195296       19.8979309352       16.2661230580
  O        14.5913900273       20.2817220244       17.4077827082
      58
 i =       68, E =     -2681.7885921091
 Zr        15.5139924693        8.9694630589       15.2004673922
 Cu        17.0115198944       10.8551128535       16.3290892958
 Cu        17.0981332737       10.5485249683       13.7554259752
 Cu        14.5602065043       10.5559267389       17.1061421165
 Cu        14.6605602731       10.0493344749       12.9147495873
 Cu        13.0917111741       10.0570407164       15.0186898052
 Cu        18.4112899012       12.6848908147       17.3719244693
 Cu        18.5507547792       12.0454589434       12.3577426406
 Cu        18.5913863278       12.3228350734       14.8810599742
 Cu        16.0576963763       12.3517791375       18.2269610338
 Cu        15.0934634431       11.5367222658       14.8558504781
 Cu        13.6298898989       12.0981206935       18.8814439306
 Cu        16.2423257782       11.5116780860       11.4742072929
 Cu        13.8529499143       11.0905596840       10.7626441549
 Cu        12.1542440959       11.5357674841       16.9124146935
 Cu        12.2654322511       11.0324102440       12.7297290020
 Cu        10.8158769678       11.1013430632       14.7995201612
 Cu        16.5683570509       13.3041165091       15.9803315613
 Cu        16.6436709211       12.9851708010       13.4481636919
 Cu        14.1696674154       13.0097764394       16.7393467816
 Cu        14.2749200098       12.5009179577       12.6418715651
 Cu        12.7445664446       12.5086156428       14.6834624073
 Cu        18.6237246834       14.6987051811       15.8779011252
 Cu        18.6906574415       14.3758450644       13.3144691869
 Cu        17.0410701527       14.7222957212       17.9549119559
 Cu        17.2377811691       13.8772106968       11.2058346948
 Cu        14.6048545504       14.4182188493       18.7297585456
 Cu        14.7090392289       13.9185185252       14.5636582576
 Cu        14.8215178835       13.3882130246       10.3855417390
 Cu        12.1720928732       13.9064876004       17.9141738555
 Cu        12.3681595216       13.0942709031       11.1637506555
 Cu        10.7382944832       13.4081079065       15.8292183143
 Cu        10.8047539087       13.0938815584       13.2431587662
 Cu        16.6815215824       15.3188360782       14.4411887604
 Cu        15.1303192663       15.3802358002       16.4706641259
 Cu        15.2559523594       14.8221629937       12.3823480407
 Cu        12.7666353243       14.8423216147       15.6788292757
 Cu        12.8380672865       14.5283011723       13.1501308852
 Cu        18.6273946347       16.6898865105       14.3213837867
 Cu        17.1638764145       16.7802391577       16.3902945864
 Cu        17.3097728162       16.2376096427       12.1906323181
 Cu        15.5741545243       16.7040258337       18.3950322573
 Cu        13.1610422530       16.2774708596       17.6669132570
 Cu        15.7910949229       15.7072807970       10.2397197770
 Cu        14.3267431142       16.2994003569       14.2712043056
 Cu        13.3616706261       15.4723459797       10.9051701018
 Cu        10.7828775492       15.4413408163       14.2526730160
 Cu        10.8503347102       15.7456149881       16.7779227752
 Cu        11.0062465014       15.1312632919       11.7584546020
 Cu        16.3594934979       17.7446275670       14.0470253404
 Cu        14.7585761332       17.8501155629       16.2887126832
 Cu        14.8811669938       17.2637001055       12.0332904865
 Cu        12.2724149543       17.2415365465       15.3449563847
 Cu        12.4087750263       16.9672222589       12.8222838202
 Zr        13.9631564356       18.9523869996       14.1217158756
  O        14.0859848403       20.6686399138       15.1997603259
  C        14.4301681908       19.8997490365       16.2656741535
  O        14.6294101781       20.2896944167       17.4029232172
      58
 i =       69, E =     -2681.7886658794
 Zr        15.5113096809        8.9706302416       15.2032508336
 Cu        17.0115878134       10.8544477548       16.3290237280
 Cu        17.0973312868       10.5470147769       13.7555049750
 Cu        14.5583753372       10.5586085460       17.1075322361
 Cu        14.6587471089       10.0486004063       12.9166169101
 Cu        13.0898532241       10.0604709053       15.0210109076
 Cu        18.4141200603       12.6831093230       17.3694181751
 Cu        18.5510740856       12.0434992534       12.3562537648
 Cu        18.5925865294       12.3211182568       14.8793633898
 Cu        16.0590870739       12.3523048766       18.2268281721
 Cu        15.0932931018       11.5370743472       14.8569212612
 Cu        13.6304990258       12.1006435226       18.8824364601
 Cu        16.2410767376       11.5096216470       11.4741759940
 Cu        13.8506555149       11.0904569467       10.7639308943
 Cu        12.1530945294       11.5411800956       16.9142989231
 Cu        12.2636259007       11.0328620972       12.7311243101
 Cu        10.8149946894       11.1067319991       14.8016178857
 Cu        16.5702079211       13.3036224194       15.9803258060
 Cu        16.6443777666       12.9837470015       13.4475393686
 Cu        14.1704087233       13.0125143145       16.7403723966
 Cu        14.2746968792       12.5005881094       12.6425151628
 Cu        12.7448079343       12.5115233887       14.6842053757
 Cu        18.6255050101       14.6977410130       15.8761691727
 Cu        18.6921337366       14.3738575498       13.3122828579
 Cu        17.0455972127       14.7205376513       17.9550246083
 Cu        17.2385293226       13.8751487056       11.2049336828
 Cu        14.6076622960       14.4206776474       18.7303119284
 Cu        14.7101733563       13.9193807897       14.5635443965
 Cu        14.8211640159       13.3872122038       10.3850373908
 Cu        12.1734343033       13.9114094817       17.9157202933
 Cu        12.3679698878       13.0950834167       11.1641191942
 Cu        10.7390307210       13.4131382860       15.8285471502
 Cu        10.8053115067       13.0972663101       13.2419192752
 Cu        16.6838421913       15.3179899502       14.4397972310
 Cu        15.1338650466       15.3805029137       16.4711251439
 Cu        15.2576657934       14.8215713394       12.3812748897
 Cu        12.7690973934       14.8456927248       15.6799938158
 Cu        12.8394720090       14.5302107013       13.1503621792
 Cu        18.6307090283       16.6882628866       14.3191887388
 Cu        17.1690298145       16.7779588906       16.3897040393
 Cu        17.3121317756       16.2370901506       12.1890400809
 Cu        15.5807637558       16.7035618689       18.3953850171
 Cu        13.1648611221       16.2801443177       17.6692097069
 Cu        15.7928955903       15.7058842218       10.2383271174
 Cu        14.3305606982       16.2997343208       14.2697073848
 Cu        13.3637065299       15.4726420001       10.9046630637
 Cu        10.7863151803       15.4461674092       14.2535956961
 Cu        10.8545452273       15.7498457895       16.7784950252
 Cu        11.0084103888       15.1341532475       11.7586946907
 Cu        16.3646004129       17.7438942438       14.0481828383
 Cu        14.7611013370       17.8467308339       16.2890730969
 Cu        14.8847194222       17.2634616960       12.0319592433
 Cu        12.2755676539       17.2444476617       15.3429437730
 Cu        12.4131931699       16.9696426729       12.8211339416
 Zr        13.9699539631       18.9550561683       14.1198768326
  O        14.0786850727       20.6685892427       15.1998309627
  C        14.4204492759       19.8956834889       16.2643815498
  O        14.6150628784       20.2830259846       17.4031413629
      58
 i =       70, E =     -2681.7860952525
 Zr        15.4643310389        8.9883096671       15.2452694446
 Cu        17.0104111107       10.8435936430       16.3267361775
 Cu        17.0807672233       10.5222691516       13.7566672815
 Cu        14.5304575394       10.6014269503       17.1297997901
 Cu        14.6257784330       10.0405673055       12.9457501874
 Cu        13.0582864885       10.1173398922       15.0580383957
 Cu        18.4578713203       12.6524210123       17.3316947307
 Cu        18.5533600843       12.0082134401       12.3338138202
 Cu        18.6099146514       12.2906789338       14.8534106622
 Cu        16.0824456920       12.3609388427       18.2246706023
 Cu        15.0891407140       11.5444350933       14.8734991537
 Cu        13.6431011660       12.1438305661       18.8988039656
 Cu        16.2189105824       11.4779629623       11.4742557379
 Cu        13.8117043985       11.0918023368       10.7847132615
 Cu        12.1370011962       11.6289102691       16.9457340806
 Cu        12.2323819679       11.0470555528       12.7553982417
 Cu        10.7995233331       11.1957283388       14.8378367488
 Cu        16.6001863536       13.2962405532       15.9796591083
 Cu        16.6553103963       12.9609455051       13.4382473032
 Cu        14.1847434938       13.0565673923       16.7561142771
 Cu        14.2702910902       12.4985712433       12.6531740818
 Cu        12.7488003994       12.5610617812       14.6979526896
 Cu        18.6570992573       14.6783271649       15.8493229038
 Cu        18.7171738450       14.3380012134       13.2787462867
 Cu        17.1191654589       14.6946450703       17.9549252397
 Cu        17.2510723086       13.8403518739       11.1911034976
 Cu        14.6569474978       14.4609590986       18.7370873689
 Cu        14.7305775732       13.9343550069       14.5620326072
 Cu        14.8154839633       13.3732779303       10.3783312550
 Cu        12.2000991949       13.9924280542       17.9404405657
 Cu        12.3644271209       13.1129550585       11.1720139698
 Cu        10.7538504403       13.4983741366       15.8231532160
 Cu        10.8138326366       13.1567945565       13.2286515224
 Cu        16.7243198116       15.3043533119       14.4180899930
 Cu        15.1938755943       15.3873369798       16.4758609110
 Cu        15.2875067741       14.8127826163       12.3651210949
 Cu        12.8119825800       14.9019879260       15.6982305400
 Cu        12.8639034529       14.5635875623       13.1549594966
 Cu        18.6886320454       16.6578480207       14.2848338599
 Cu        17.2541404713       16.7444696427       16.3784121928
 Cu        17.3542001545       16.2259413512       12.1641131445
 Cu        15.6877952800       16.7002776782       18.3965901157
 Cu        13.2309931274       16.3262028236       17.7020920507
 Cu        15.8253696192       15.6826963273       10.2167046993
 Cu        14.3954792810       16.3067786078       14.2448616492
 Cu        13.3981738308       15.4802312585       10.8975344845
 Cu        10.8429258510       15.5262417735       14.2695900825
 Cu        10.9258794250       15.8236660187       16.7895692842
 Cu        11.0443004889       15.1851206359       11.7641900908
 Cu        16.4502446901       17.7334726786       14.0633968763
 Cu        14.8088756278       17.8001999595       16.2874546235
 Cu        14.9478551477       17.2592528002       12.0090629341
 Cu        12.3327714042       17.2928624847       15.3111219588
 Cu        12.4866112111       17.0105247344       12.8036001298
 Zr        14.0785192655       18.9940669662       14.0846181642
  O        13.9494261607       20.6649548533       15.2015924979
  C        14.2563530419       19.8312663552       16.2446877051
  O        14.3650628784       20.1721865572       17.4106488392
      58
 i =       71, E =     -2681.7885172430
 Zr        15.5018388817        8.9735662292       15.2111126440
 Cu        17.0120531060       10.8516193897       16.3274423755
 Cu        17.0935320607       10.5418629099       13.7548829879
 Cu        14.5532306118       10.5661964115       17.1119122270
 Cu        14.6521217728       10.0468497187       12.9226563023
 Cu        13.0832142479       10.0712608175       15.0286161417
 Cu        18.4231221395       12.6755738222       17.3615747349
 Cu        18.5512503713       12.0362346287       12.3510895460
 Cu        18.5961468794       12.3147254032       14.8735306097
 Cu        16.0639996257       12.3527205975       18.2261046527
 Cu        15.0923907832       11.5382288760       14.8602710517
 Cu        13.6330893672       12.1087011041       18.8857406050
 Cu        16.2359813884       11.5038031403       11.4743257734
 Cu        13.8424740584       11.0905540585       10.7684860610
 Cu        12.1498801858       11.5577460078       16.9209329924
 Cu        12.2571769128       11.0357708988       12.7366538872
 Cu        10.8116445402       11.1255354674       14.8089908556
 Cu        16.5766227041       13.3016748990       15.9803226156
 Cu        16.6466246446       12.9793180671       13.4456720712
 Cu        14.1735892384       13.0201803496       16.7434460732
 Cu        14.2735356201       12.5002366750       12.6450699123
 Cu        12.7455953915       12.5215205898       14.6874693730
 Cu        18.6329020730       14.6918056885       15.8710982275
 Cu        18.6976207018       14.3658300081       13.3054770246
 Cu        17.0613285147       14.7142478070       17.9555330787
 Cu        17.2410945949       13.8685902495       11.2023459662
 Cu        14.6177119295       14.4274011149       18.7312865302
 Cu        14.7148485502       13.9220847468       14.5636015517
 Cu        14.8198202163       13.3845294999       10.3839939029
 Cu        12.1797570008       13.9280181803       17.9207141492
 Cu        12.3670538555       13.0984393332       11.1660910267
 Cu        10.7425775389       13.4307263774       15.8282389921
 Cu        10.8065719993       13.1102025202       13.2402450226
 Cu        16.6930481705       15.3149653666       14.4363320715
 Cu        15.1465345690       15.3812019354       16.4724227095
 Cu        15.2639490895       14.8197135856       12.3784850142
 Cu        12.7783708019       14.8568173729       15.6835894133
 Cu        12.8446631319       14.5368785492       13.1515740682
 Cu        18.6445622511       16.6805639991       14.3142565045
 Cu        17.1883563041       16.7699573622       16.3893316364
 Cu        17.3212570066       16.2350210049       12.1853060880
 Cu        15.6023958227       16.7014585770       18.3961689534
 Cu        13.1794811883       16.2896384547       17.6747414730
 Cu        15.7995241950       15.7013349474       10.2342223593
 Cu        14.3447854094       16.3005367614       14.2651576754
 Cu        13.3708262309       15.4738345147       10.9037172241
 Cu        10.7981725725       15.4632507525       14.2573193902
 Cu        10.8692719998       15.7651100121       16.7806441122
 Cu        11.0153544602       15.1437372173       11.7599395942
 Cu        16.3840617552       17.7415275828       14.0528493994
 Cu        14.7748179956       17.8384784440       16.2877576425
 Cu        14.8994399097       17.2619907887       12.0277291552
 Cu        12.2887342241       17.2540823283       15.3369696534
 Cu        12.4286125258       16.9776595136       12.8179709877
 Zr        13.9918466023       18.9602253943       14.1106426766
  O        14.0386513746       20.6649605502       15.1988027791
  C        14.3834767229       19.8825586749       16.2578825205
  O        14.5605366446       20.2592331069       17.4012982473
      58
 i =       72, E =     -2681.7885514062
 Zr        15.5165527799        8.9649833797       15.1946620708
 Cu        17.0114803351       10.8521901162       16.3280086070
 Cu        17.1014114701       10.5474004673       13.7542248587
 Cu        14.5621777362       10.5507867369       17.1024571826
 Cu        14.6647268570       10.0478409419       12.9103480380
 Cu        13.0949109890       10.0517429110       15.0143640416
 Cu        18.4103402331       12.6830462500       17.3730684755
 Cu        18.5535602034       12.0470922741       12.3583353837
 Cu        18.5916085802       12.3231232628       14.8820195067
 Cu        16.0563107816       12.3488488690       18.2269488806
 Cu        15.0947045812       11.5338906333       14.8529015088
 Cu        13.6284257977       12.0902057157       18.8798700141
 Cu        16.2450672451       11.5129514105       11.4721640510
 Cu        13.8555338314       11.0888997614       10.7594620669
 Cu        12.1558315600       11.5257661344       16.9097019284
 Cu        12.2669308205       11.0277448828       12.7268760804
 Cu        10.8178305474       11.0925951666       14.7977020589
 Cu        16.5663505610       13.3017552525       15.9806371436
 Cu        16.6435129870       12.9835334554       13.4481849084
 Cu        14.1678886347       13.0046454946       16.7382304257
 Cu        14.2755594090       12.4991953886       12.6396731380
 Cu        12.7446713574       12.5026433974       14.6812654424
 Cu        18.6188783266       14.6995748074       15.8800866376
 Cu        18.6883418413       14.3757937345       13.3153561446
 Cu        17.0391248779       14.7187928296       17.9569973685
 Cu        17.2370307591       13.8779905697       11.2062893319
 Cu        14.6009421168       14.4119702728       18.7306041728
 Cu        14.7068567888       13.9158286772       14.5632956807
 Cu        14.8223035696       13.3890776618       10.3846227580
 Cu        12.1694640830       13.8987576478       17.9136460345
 Cu        12.3686496605       13.0911275635       11.1620659825
 Cu        10.7375873064       13.3977571251       15.8283375222
 Cu        10.8043777778       13.0873469024       13.2414639362
 Cu        16.6771487412       15.3175481947       14.4418830591
 Cu        15.1260002325       15.3769347407       16.4717436585
 Cu        15.2544012917       14.8215740495       12.3831926539
 Cu        12.7626702436       14.8362194292       15.6794373272
 Cu        12.8355252967       14.5248059864       13.1501972199
 Cu        18.6212963126       16.6898944012       14.3227458519
 Cu        17.1584240423       16.7788313180       16.3919165738
 Cu        17.3073870880       16.2381924569       12.1911615868
 Cu        15.5689223486       16.6996566833       18.3944352596
 Cu        13.1552607307       16.2724022085       17.6674541283
 Cu        15.7885528764       15.7108761042       10.2419913081
 Cu        14.3213458097       16.2970790193       14.2738538136
 Cu        13.3595033356       15.4718198178       10.9078981910
 Cu        10.7809508575       15.4357815479       14.2541478353
 Cu        10.8455285033       15.7350337002       16.7787564277
 Cu        11.0040352064       15.1268047797       11.7582267383
 Cu        16.3527757218       17.7429527099       14.0501719730
 Cu        14.7503858186       17.8524170425       16.2892373864
 Cu        14.8770690492       17.2633464011       12.0388834521
 Cu        12.2690458501       17.2376794137       15.3502212567
 Cu        12.4016663612       16.9638910201       12.8269345390
 Zr        13.9535099629       18.9480905920       14.1244597246
  O        14.0962566357       20.6755593593       15.1947568041
  C        14.4378750204       19.9145615210       16.2604055766
  O        14.6363153191       20.3125665751       17.3944710099
      58
 i =       73, E =     -2681.7886474470
 Zr        15.5140152827        8.9665474094       15.1985644052
 Cu        17.0123644348       10.8514589318       16.3275449601
 Cu        17.0997955322       10.5456721751       13.7540431380
 Cu        14.5604462237       10.5533802061       17.1045869611
 Cu        14.6620217750       10.0465673229       12.9132779965
 Cu        13.0924529227       10.0550067954       15.0174950283
 Cu        18.4135267267       12.6809276002       17.3700771537
 Cu        18.5528542450       12.0444167011       12.3562438363
 Cu        18.5928835267       12.3210057641       14.8796618213
 Cu        16.0581840502       12.3487168494       18.2265606938
 Cu        15.0943796241       11.5339694720       14.8545985944
 Cu        13.6294195042       12.0936868029       18.8809377814
 Cu        16.2428966143       11.5102236360       11.4725621731
 Cu        13.8527126960       11.0886625695       10.7616219107
 Cu        12.1543333119       11.5320038267       16.9120509953
 Cu        12.2650970689       11.0286103210       12.7288781879
 Cu        10.8166492407       11.0992504426       14.7996173558
 Cu        16.5688505203       13.3010473282       15.9804783281
 Cu        16.6441840774       12.9821930865       13.4474701497
 Cu        14.1692819518       13.0071204681       16.7392005328
 Cu        14.2751590834       12.4986847087       12.6409791534
 Cu        12.7449895846       12.5060461706       14.6825203445
 Cu        18.6222222442       14.6972892778       15.8780016018
 Cu        18.6903125665       14.3735163661       13.3130357962
 Cu        17.0437261394       14.7169680439       17.9565821388
 Cu        17.2377066384       13.8759676178       11.2054775623
 Cu        14.6042966284       14.4145170015       18.7303573273
 Cu        14.7087482415       13.9165896700       14.5634380445
 Cu        14.8217200039       13.3875100486       10.3846532504
 Cu        12.1715196462       13.9044379653       17.9146794189
 Cu        12.3682749040       13.0919907039       11.1629546865
 Cu        10.7385582226       13.4040893578       15.8277443686
 Cu        10.8049253394       13.0916556219       13.2407880350
 Cu        16.6807602286       15.3166840410       14.4409168711
 Cu        15.1303587444       15.3775899384       16.4719783815
 Cu        15.2562549821       14.8208897936       12.3823104116
 Cu        12.7661729394       14.8400191888       15.6801321568
 Cu        12.8376780105       14.5267706629       13.1504830917
 Cu        18.6266537666       16.6876760461       14.3213163614
 Cu        17.1651703141       16.7761403603       16.3920629057
 Cu        17.3099540311       16.2377035553       12.1905065743
 Cu        15.5760370008       16.6991550341       18.3956432525
 Cu        13.1604824988       16.2756034631       17.6688283880
 Cu        15.7905224020       15.7085592518       10.2404809159
 Cu        14.3267781205       16.2975666767       14.2724605033
 Cu        13.3618864111       15.4716310406       10.9069046972
 Cu        10.7848583321       15.4413593561       14.2544033019
 Cu        10.8503677272       15.7406856059       16.7784864077
 Cu        11.0065127400       15.1296180514       11.7585578657
 Cu        16.3597205890       17.7426942551       14.0516732493
 Cu        14.7565017193       17.8498368541       16.2904694812
 Cu        14.8817739186       17.2631760044       12.0367575521
 Cu        12.2731327965       17.2406060739       15.3475377096
 Cu        12.4079590905       16.9664202519       12.8248623630
 Zr        13.9622187513       18.9511410162       14.1222788131
  O        14.0787125307       20.6724405786       15.1961254992
  C        14.4246156222       19.9080570408       16.2603815205
  O        14.6196044012       20.3020915032       17.3956362744
      58
 i =       74, E =     -2681.7867628140
 Zr        15.4772511340        8.9751838191       15.2278275552
 Cu        17.0082916517       10.8430750925       16.3202629943
 Cu        17.0865901915       10.5275516698       13.7533223462
 Cu        14.5401517678       10.5830878678       17.1183556536
 Cu        14.6366255678       10.0428722747       12.9359799877
 Cu        13.0700561993       10.1013835206       15.0503587934
 Cu        18.4451599221       12.6518677094       17.3411821706
 Cu        18.5514045061       12.0158811503       12.3386086650
 Cu        18.6050348820       12.2949526584       14.8602438114
 Cu        16.0752628071       12.3505054977       18.2228413204
 Cu        15.0901645315       11.5410357228       14.8654292237
 Cu        13.6402718479       12.1254658754       18.8902065640
 Cu        16.2230984900       11.4896536987       11.4736912695
 Cu        13.8218914275       11.0890567618       10.7800189640
 Cu        12.1459775917       11.5973178808       16.9366072935
 Cu        12.2383425541       11.0402479179       12.7517811062
 Cu        10.8035836470       11.1734961375       14.8317658180
 Cu        16.5922367017       13.2966396077       15.9812316499
 Cu        16.6528305164       12.9657261999       13.4426477529
 Cu        14.1813612226       13.0403103559       16.7486524976
 Cu        14.2710028198       12.5002610542       12.6506460048
 Cu        12.7490881152       12.5452247741       14.6946629238
 Cu        18.6494101729       14.6727331748       15.8593559230
 Cu        18.7114679239       14.3383735227       13.2888161005
 Cu        17.1052925218       14.6928887512       17.9582457989
 Cu        17.2465428118       13.8498739191       11.1993142528
 Cu        14.6455166411       14.4447143494       18.7281142356
 Cu        14.7263487191       13.9315162395       14.5617184928
 Cu        14.8180887296       13.3780711193       10.3814359796
 Cu        12.1998851318       13.9737686341       17.9323479843
 Cu        12.3664843961       13.1021811206       11.1732752902
 Cu        10.7575096919       13.4746201651       15.8303753330
 Cu        10.8096141721       13.1441138485       13.2375221999
 Cu        16.7159681175       15.3084393182       14.4288299830
 Cu        15.1797362723       15.3871213011       16.4738732901
 Cu        15.2814674858       14.8134407015       12.3721236796
 Cu        12.8017126909       14.8854373729       15.6931811045
 Cu        12.8571505855       14.5534210386       13.1559144071
 Cu        18.6821536368       16.6522763712       14.3046223188
 Cu        17.2430709574       16.7469245069       16.3928267713
 Cu        17.3470716811       16.2284906696       12.1770506037
 Cu        15.6590819840       16.6898990799       18.3958635948
 Cu        13.2161802474       16.3205289163       17.6852574600
 Cu        15.8169778184       15.6913835536       10.2264734226
 Cu        14.3832561651       16.3012031814       14.2508564362
 Cu        13.3892566410       15.4732533959       10.9041220941
 Cu        10.8319308379       15.5087968768       14.2715805025
 Cu        10.9090899846       15.8027391681       16.7851662683
 Cu        11.0378034767       15.1636848796       11.7634803824
 Cu        16.4428078960       17.7354116115       14.0684703144
 Cu        14.8153666689       17.8176579392       16.2691943040
 Cu        14.9423319490       17.2515536802       12.0217387064
 Cu        12.3305986926       17.2799330145       15.3236214443
 Cu        12.4654684298       16.9937375969       12.8193804015
 Zr        14.0350959794       18.9587147901       14.0708648861
  O        13.8580040608       20.6515658705       15.2035720648
  C        14.2235763459       19.8414065235       16.2322355607
  O        14.3696044012       20.1884747406       17.3966895565
      58
 i =       75, E =     -2681.7886202151
 Zr        15.5082030029        8.9684725600       15.2057176643
 Cu        17.0138574348       10.8489586541       16.3257304768
 Cu        17.0966790045       10.5408298938       13.7534418461
 Cu        14.5574335530       10.5576286932       17.1083924558
 Cu        14.6562790302       10.0434452294       12.9188136234
 Cu        13.0876268085       10.0614411194       15.0241294455
 Cu        18.4203630659       12.6749893702       17.3639778096
 Cu        18.5515456986       12.0375307356       12.3518098780
 Cu        18.5958249485       12.3154814964       14.8747402313
 Cu        16.0621847052       12.3476164737       18.2255304283
 Cu        15.0938291112       11.5334001069       14.8573774411
 Cu        13.6317257412       12.1001470798       18.8827656117
 Cu        16.2382811468       11.5043164245       11.4731433766
 Cu        13.8466000035       11.0875830685       10.7659321678
 Cu        12.1522057153       11.5436942348       16.9166401981
 Cu        12.2606653941       11.0300392936       12.7332729643
 Cu        10.8140623246       11.1130391589       14.8042347850
 Cu        16.5742180581       13.2988956340       15.9801802005
 Cu        16.6458230778       12.9782352157       13.4460829072
 Cu        14.1725047402       13.0114798118       16.7406965731
 Cu        14.2743846850       12.4973150289       12.6434126556
 Cu        12.7460031699       12.5124067115       14.6848997306
 Cu        18.6292301595       14.6911849178       15.8740438093
 Cu        18.6946092515       14.3667279493       13.3081060552
 Cu        17.0543174389       14.7120138881       17.9559267936
 Cu        17.2392884381       13.8708227018       11.2041730780
 Cu        14.6118486561       14.4193182345       18.7289419143
 Cu        14.7130100882       13.9177827176       14.5634201985
 Cu        14.8207174703       13.3840851901       10.3847300693
 Cu        12.1768887147       13.9164948081       17.9167000469
 Cu        12.3676549469       13.0931504271       11.1650205933
 Cu        10.7418394343       13.4169724333       15.8270833813
 Cu        10.8060550092       13.1009559597       13.2399042607
 Cu        16.6887193476       15.3143094787       14.4390511758
 Cu        15.1399536653       15.3789985923       16.4720523415
 Cu        15.2607918186       14.8188448480       12.3806278161
 Cu        12.7739178750       14.8473892823       15.6816511601
 Cu        12.8423439446       14.5305372381       13.1512168007
 Cu        18.6389009329       16.6807849643       14.3188652501
 Cu        17.1804533815       16.7699679610       16.3929527839
 Cu        17.3162297016       16.2361612395       12.1893330139
 Cu        15.5912509649       16.6974080502       18.3972006096
 Cu        13.1718788207       16.2828929261       17.6706735852
 Cu        15.7951849662       15.7037867626       10.2378319436
 Cu        14.3389213266       16.2978683461       14.2695636921
 Cu        13.3673339954       15.4708003421       10.9055875058
 Cu        10.7940803933       15.4534219788       14.2557416548
 Cu        10.8608522547       15.7520643603       16.7777950389
 Cu        11.0122931357       15.1350889204       11.7593075299
 Cu        16.3757683062       17.7419866325       14.0559273402
 Cu        14.7704880751       17.8456879907       16.2908824483
 Cu        14.8934601147       17.2617880979       12.0336075946
 Cu        12.2831250657       17.2461272030       15.3425734448
 Cu        12.4212926768       16.9710827586       12.8219694397
 Zr        13.9776147978       18.9552835706       14.1157508929
  O        14.0216225937       20.6644141602       15.1995983083
  C        14.3854333608       19.8942026559       16.2582372745
  O        14.5721143458       20.2782801550       17.3967937089
      58
 i =       76, E =     -2681.7886884052
 Zr        15.5121916078        8.9677547020       15.2061584097
 Cu        17.0148203671       10.8514041051       16.3264675652
 Cu        17.0970839308       10.5430778199       13.7538835979
 Cu        14.5592809267       10.5562984254       17.1085539565
 Cu        14.6573597147       10.0435785937       12.9194133548
 Cu        13.0899222038       10.0585207622       15.0236808063
 Cu        18.4182713502       12.6784637952       17.3664235299
 Cu        18.5500007322       12.0402509599       12.3530613111
 Cu        18.5947471851       12.3176593234       14.8760061348
 Cu        16.0610826140       12.3475333525       18.2254861694
 Cu        15.0942413263       11.5333242901       14.8577541682
 Cu        13.6308232892       12.0991632687       18.8818392440
 Cu        16.2390935650       11.5054314192       11.4741318437
 Cu        13.8488957895       11.0867986710       10.7658245139
 Cu        12.1523520007       11.5404403893       16.9149648712
 Cu        12.2628047595       11.0293063382       12.7326175001
 Cu        10.8150065217       11.1071137180       14.8020636597
 Cu        16.5730156772       13.3000940827       15.9800509034
 Cu        16.6451303827       12.9803108170       13.4467512597
 Cu        14.1719678564       13.0095556912       16.7398859640
 Cu        14.2747096443       12.4970463564       12.6437561189
 Cu        12.7458147443       12.5096496091       14.6845319293
 Cu        18.6283045179       14.6926727178       15.8751024072
 Cu        18.6932103047       14.3702499470       13.3101588468
 Cu        17.0488735770       14.7143965519       17.9555236037
 Cu        17.2381069991       13.8732258750       11.2054139668
 Cu        14.6084320543       14.4182726729       18.7278392944
 Cu        14.7122982964       13.9168156330       14.5635987388
 Cu        14.8207124065       13.3837527677       10.3863368357
 Cu        12.1746200992       13.9120954004       17.9135438897
 Cu        12.3681858106       13.0914704554       11.1653972844
 Cu        10.7405361468       13.4133465508       15.8261083082
 Cu        10.8058805037       13.0966733896       13.2406289100
 Cu        16.6867442449       15.3154721816       14.4404505838
 Cu        15.1370205251       15.3786828967       16.4713809271
 Cu        15.2586438368       14.8191098064       12.3817553337
 Cu        12.7719347974       14.8442118895       15.6796228124
 Cu        12.8415340999       14.5278198643       13.1506838974
 Cu        18.6350817167       16.6837296311       14.3210800656
 Cu        17.1753736299       16.7721413161       16.3939887612
 Cu        17.3127758615       16.2368786686       12.1912450995
 Cu        15.5838613077       16.6986232832       18.3973278205
 Cu        13.1678539543       16.2806608973       17.6670374173
 Cu        15.7932336865       15.7032113942       10.2389139483
 Cu        14.3358983867       16.2974482403       14.2696550081
 Cu        13.3653271999       15.4690908242       10.9046998520
 Cu        10.7904815230       15.4477410935       14.2523784202
 Cu        10.8567170445       15.7494685618       16.7751431154
 Cu        11.0113487850       15.1316910167       11.7585758735
 Cu        16.3703569283       17.7440115449       14.0541467406
 Cu        14.7695633358       17.8456372870       16.2885249959
 Cu        14.8898207181       17.2616766036       12.0329697409
 Cu        12.2798346955       17.2422604781       15.3413790376
 Cu        12.4189407117       16.9679307886       12.8205891129
 Zr        13.9702644093       18.9525803665       14.1174446120
  O        14.0216774129       20.6621752913       15.2040994236
  C        14.3923340728       19.8920660857       16.2621151675
  O        14.5942091876       20.2767768207       17.3998086661
      58
 i =       77, E =     -2681.7886943486
 Zr        15.5155767044        8.9668107214       15.2060780152
 Cu        17.0160262543       10.8528731710       16.3270743288
 Cu        17.0980019104       10.5444067891       13.7540087240
 Cu        14.5610995907       10.5547986709       17.1087921832
 Cu        14.6588495118       10.0431269751       12.9197640472
 Cu        13.0923183228       10.0554665538       15.0233802247
 Cu        18.4171464220       12.6809661535       17.3682843629
 Cu        18.5497590451       12.0426443664       12.3539892107
 Cu        18.5943546388       12.3193117618       14.8769482529
 Cu        16.0601823820       12.3473297617       18.2255734727
 Cu        15.0949240928       11.5326730001       14.8580621718
 Cu        13.6297045099       12.0970665482       18.8811787917
 Cu        16.2401885358       11.5065163996       11.4748051502
 Cu        13.8507541055       11.0853842411       10.7655185384
 Cu        12.1526442838       11.5367225583       16.9132774636
 Cu        12.2643130018       11.0277994397       12.7319676542
 Cu        10.8160778675       11.1011112694       14.8004247090
 Cu        16.5721254036       13.3007594085       15.9802397327
 Cu        16.6448860800       12.9814756391       13.4473977594
 Cu        14.1712237118       13.0074590615       16.7394502218
 Cu        14.2752049669       12.4960389846       12.6439677030
 Cu        12.7457216115       12.5064178679       14.6840267500
 Cu        18.6270012084       14.6942528765       15.8763048814
 Cu        18.6918975786       14.3730197515       13.3116185934
 Cu        17.0448163853       14.7153902394       17.9562447373
 Cu        17.2374898774       13.8750187187       11.2064708954
 Cu        14.6049102551       14.4168890233       18.7273399360
 Cu        14.7115761725       13.9152405656       14.5637700254
 Cu        14.8206742032       13.3832574247       10.3872928786
 Cu        12.1724324786       13.9078586793       17.9113592322
 Cu        12.3687678891       13.0892943102       11.1652324016
 Cu        10.7392476780       13.4092452574       15.8249204925
 Cu        10.8056826048       13.0923209954       13.2406968964
 Cu        16.6847899679       15.3159019797       14.4414571467
 Cu        15.1345719228       15.3770129128       16.4712443868
 Cu        15.2570418050       14.8188870361       12.3824965143
 Cu        12.7698423067       14.8404935034       15.6781652351
 Cu        12.8405971072       14.5247450504       13.1502388587
 Cu        18.6311002952       16.6862589085       14.3232241085
 Cu        17.1710118871       16.7728623420       16.3954080340
 Cu        17.3099620259       16.2375549039       12.1924952476
 Cu        15.5770269108       16.6988198803       18.3968934553
 Cu        13.1638363059       16.2781130427       17.6639882504
 Cu        15.7918369033       15.7029500139       10.2395971907
 Cu        14.3330949998       16.2956964315       14.2694809611
 Cu        13.3639939875       15.4673492947       10.9043541431
 Cu        10.7873664963       15.4422137426       14.2500341687
 Cu        10.8531371909       15.7459032828       16.7733125952
 Cu        11.0104531637       15.1281978489       11.7575551044
 Cu        16.3653386021       17.7448355119       14.0538102871
 Cu        14.7674924022       17.8439417032       16.2852391777
 Cu        14.8874346298       17.2609531050       12.0329587241
 Cu        12.2765796652       17.2376693605       15.3399481303
 Cu        12.4166963861       16.9644552051       12.8192242784
 Zr        13.9621309761       18.9489811399       14.1184417042
  O        14.0152127879       20.6608230381       15.2063302666
  C        14.3986153512       19.8905566508       16.2626277013
  O        14.6134017148       20.2750729959       17.3986331556
      58
 i =       78, E =     -2681.7886933642
 Zr        15.5138616527        8.9660063318       15.2076728620
 Cu        17.0162001687       10.8522402794       16.3268433319
 Cu        17.0980461424       10.5424468598       13.7540655344
 Cu        14.5608097973       10.5559236653       17.1099688322
 Cu        14.6579722573       10.0422073432       12.9213311806
 Cu        13.0920056488       10.0570997267       15.0257241081
 Cu        18.4196229354       12.6789386587       17.3671067029
 Cu        18.5508238654       12.0409355794       12.3531548037
 Cu        18.5956839355       12.3173519290       14.8758983730
 Cu        16.0611369460       12.3475583221       18.2255629998
 Cu        15.0952954056       11.5322980648       14.8587967191
 Cu        13.6298031986       12.0975510574       18.8818086790
 Cu        16.2398532437       11.5051192139       11.4749724098
 Cu        13.8492025001       11.0837629650       10.7663974524
 Cu        12.1526523719       11.5389380090       16.9141299842
 Cu        12.2625704126       11.0274424210       12.7334665588
 Cu        10.8157277778       11.1030151681       14.8027276121
 Cu        16.5736572088       13.3002904102       15.9805370153
 Cu        16.6459351837       12.9795827397       13.4473668248
 Cu        14.1716680636       13.0085661164       16.7401494442
 Cu        14.2754911462       12.4949155291       12.6444383730
 Cu        12.7461810727       12.5070707207       14.6844241914
 Cu        18.6279592677       14.6932457166       15.8757462556
 Cu        18.6928416078       14.3707638872       13.3100800364
 Cu        17.0486075856       14.7132253682       17.9574924199
 Cu        17.2384843941       13.8726719222       11.2062471301
 Cu        14.6061575406       14.4182945865       18.7274131084
 Cu        14.7126523849       13.9147662475       14.5635717652
 Cu        14.8204747209       13.3818965893       10.3870905907
 Cu        12.1736391390       13.9107417799       17.9123019824
 Cu        12.3691544563       13.0883769382       11.1653917802
 Cu        10.7402367194       13.4117535036       15.8244484993
 Cu        10.8061042841       13.0935844237       13.2401870144
 Cu        16.6863138643       15.3145744686       14.4404688257
 Cu        15.1376328743       15.3756479208       16.4713794516
 Cu        15.2589191149       14.8174476496       12.3817736160
 Cu        12.7714910428       14.8412256613       15.6787094829
 Cu        12.8416633832       14.5246451913       13.1502236586
 Cu        18.6326898704       16.6842069880       14.3224702825
 Cu        17.1749007725       16.7702808396       16.3957024944
 Cu        17.3121315277       16.2365337237       12.1911757836
 Cu        15.5804554900       16.6982210865       18.3950674425
 Cu        13.1659681406       16.2797916079       17.6635294998
 Cu        15.7941089129       15.7013933943       10.2386131758
 Cu        14.3358450835       16.2940975499       14.2673036413
 Cu        13.3661829404       15.4664964739       10.9043483875
 Cu        10.7898901317       15.4441417598       14.2505657321
 Cu        10.8561546630       15.7477864208       16.7735121694
 Cu        11.0126594471       15.1289383061       11.7568910629
 Cu        16.3684649463       17.7440600281       14.0557898954
 Cu        14.7691528173       17.8398460714       16.2800454703
 Cu        14.8921591984       17.2589562962       12.0323411364
 Cu        12.2792056217       17.2373756678       15.3370536385
 Cu        12.4199339207       16.9644351419       12.8178516259
 Zr        13.9610890753       18.9468421782       14.1143659733
  O        13.9869643524       20.6597508055       15.2077178960
  C        14.3831554906       19.8856783343       16.2578914344
  O        14.6004997096       20.2653742239       17.3953095382
      58
 i =       79, E =     -2681.7887476944
 Zr        15.5121291800        8.9650081179       15.2046597642
 Cu        17.0143910732       10.8503733254       16.3269604776
 Cu        17.0992776475       10.5410993519       13.7541998036
 Cu        14.5602795008       10.5553371596       17.1083055196
 Cu        14.6591247289       10.0427210313       12.9185771693
 Cu        13.0916441711       10.0570866912       15.0237190578
 Cu        18.4192588265       12.6770753291       17.3669758765
 Cu        18.5533205457       12.0399702216       12.3536586295
 Cu        18.5959509805       12.3165484265       14.8765436310
 Cu        16.0607656083       12.3481608659       18.2261357525
 Cu        15.0953041214       11.5320746403       14.8572145418
 Cu        13.6298528741       12.0959819577       18.8819381335
 Cu        16.2412337027       11.5050886743       11.4736341351
 Cu        13.8494064724       11.0840998941       10.7648399503
 Cu        12.1536528108       11.5372657624       16.9139144704
 Cu        12.2622547348       11.0271258711       12.7324560364
 Cu        10.8158571719       11.1029949591       14.8032656958
 Cu        16.5729137495       13.2995463190       15.9806631411
 Cu        16.6462380282       12.9780605108       13.4471615148
 Cu        14.1710153002       13.0086366687       16.7402886315
 Cu        14.2757781834       12.4951592211       12.6428368860
 Cu        12.7461744726       12.5068522694       14.6835477672
 Cu        18.6260394011       14.6940711369       15.8760730972
 Cu        18.6924989072       14.3692414128       13.3097035805
 Cu        17.0502618451       14.7126361942       17.9578328022
 Cu        17.2391795627       13.8710511189       11.2052458538
 Cu        14.6067344033       14.4176197420       18.7289588791
 Cu        14.7118032671       13.9149140418       14.5631541873
 Cu        14.8211290232       13.3828147904       10.3853689881
 Cu        12.1738600434       13.9102219779       17.9146589111
 Cu        12.3690892991       13.0888963695       11.1639407424
 Cu        10.7404192251       13.4096244936       15.8254613989
 Cu        10.8061339433       13.0935667453       13.2394872989
 Cu        16.6849981961       15.3139637957       14.4393450296
 Cu        15.1370101905       15.3754586950       16.4716471666
 Cu        15.2596879798       14.8174223417       12.3811082823
 Cu        12.7705278516       14.8411273491       15.6799583159
 Cu        12.8409107733       14.5254615867       13.1501068191
 Cu        18.6314315021       16.6835543466       14.3203185790
 Cu        17.1739126301       16.7705359728       16.3935144465
 Cu        17.3133846851       16.2357168253       12.1892528448
 Cu        15.5825737818       16.6980633760       18.3936139943
 Cu        13.1654273756       16.2791108440       17.6661097731
 Cu        15.7947236109       15.7033731653       10.2384998252
 Cu        14.3340014991       16.2946535580       14.2681426865
 Cu        13.3664954354       15.4681483175       10.9055383867
 Cu        10.7902432033       15.4445575992       14.2528413075
 Cu        10.8561303220       15.7453624992       16.7760577645
 Cu        11.0119014320       15.1297755411       11.7568735556
 Cu        16.3669572040       17.7425571475       14.0560735645
 Cu        14.7638234775       17.8420651258       16.2822746217
 Cu        14.8915794553       17.2595693117       12.0343927862
 Cu        12.2782791993       17.2388594625       15.3400907465
 Cu        12.4171906844       16.9656360356       12.8199693259
 Zr        13.9615317440       18.9487174043       14.1155479113
  O        14.0063970067       20.6657951663       15.2045852286
  C        14.3862339926       19.8938635867       16.2551411213
  O        14.5937602932       20.2770705626       17.3930244946
      58
 i =       80, E =     -2681.7887674043
 Zr        15.5141723968        8.9655799866       15.2054052457
 Cu        17.0157804221       10.8504209482       16.3274587342
 Cu        17.0994745841       10.5411275375       13.7543695310
 Cu        14.5611592823       10.5541674967       17.1090216785
 Cu        14.6591754457       10.0414338507       12.9191321441
 Cu        13.0919310163       10.0547170746       15.0237649719
 Cu        18.4187449652       12.6782999874       17.3675046710
 Cu        18.5527947248       12.0399754007       12.3537160376
 Cu        18.5961259436       12.3171662438       14.8767738288
 Cu        16.0606897490       12.3479768195       18.2263589045
 Cu        15.0955554732       11.5309655905       14.8577131532
 Cu        13.6297434860       12.0961202124       18.8817845528
 Cu        16.2412968354       11.5043180593       11.4740910556
 Cu        13.8501360691       11.0831992369       10.7653867522
 Cu        12.1535298635       11.5357989751       16.9135051512
 Cu        12.2633402882       11.0262493144       12.7320914720
 Cu        10.8162227127       11.1011183145       14.8017362946
 Cu        16.5728238757       13.2992171889       15.9805721262
 Cu        16.6460980253       12.9781995573       13.4473131151
 Cu        14.1711730667       13.0071796578       16.7399654707
 Cu        14.2759415516       12.4941084175       12.6430591027
 Cu        12.7462039668       12.5052354852       14.6833135890
 Cu        18.6264119657       14.6944606605       15.8763303968
 Cu        18.6921403846       14.3705015850       13.3103426035
 Cu        17.0476961899       14.7137502807       17.9571819510
 Cu        17.2389419551       13.8716261207       11.2054095080
 Cu        14.6054220315       14.4170478517       18.7283529804
 Cu        14.7117814015       13.9138386947       14.5633141577
 Cu        14.8212565465       13.3817419964       10.3856749340
 Cu        12.1728919670       13.9082654111       17.9133779455
 Cu        12.3690189904       13.0878734061       11.1635976117
 Cu        10.7393844912       13.4074265253       15.8247776960
 Cu        10.8060545522       13.0917275086       13.2393444608
 Cu        16.6847349365       15.3143007057       14.4397683637
 Cu        15.1356753954       15.3754414371       16.4711547269
 Cu        15.2589001322       14.8172040607       12.3812392271
 Cu        12.7698362672       14.8392622868       15.6787211309
 Cu        12.8408586937       14.5239270845       13.1496547458
 Cu        18.6307516766       16.6851777398       14.3209272496
 Cu        17.1719166163       16.7713176834       16.3935904092
 Cu        17.3118477979       16.2362186508       12.1902719620
 Cu        15.5798749121       16.6985937934       18.3946851775
 Cu        13.1640618568       16.2776720477       17.6645681051
 Cu        15.7938460713       15.7028804048       10.2386727786
 Cu        14.3333212962       16.2944006577       14.2688285667
 Cu        13.3660146991       15.4670622939       10.9047509830
 Cu        10.7887944348       15.4421139848       14.2506887517
 Cu        10.8539890973       15.7436390192       16.7741542085
 Cu        11.0110793982       15.1277890559       11.7561683166
 Cu        16.3646342324       17.7434530054       14.0554093598
 Cu        14.7641175996       17.8432073571       16.2852649621
 Cu        14.8898451525       17.2605819555       12.0340894968
 Cu        12.2755813371       17.2364879456       15.3395686669
 Cu        12.4169388449       16.9642460828       12.8180477503
 Zr        13.9605025736       18.9508386561       14.1180814219
  O        14.0036366641       20.6632640736       15.2073595632
  C        14.3909983300       19.8929447146       16.2580024269
  O        14.6023397213       20.2753678580       17.3945052298
      58
 i =       81, E =     -2681.7887742906
 Zr        15.5140936139        8.9648103872       15.2053934846
 Cu        17.0156498430       10.8502284234       16.3277805379
 Cu        17.0996552003       10.5406553689       13.7545634726
 Cu        14.5614858695       10.5540105918       17.1090938924
 Cu        14.6591344499       10.0413201300       12.9190799501
 Cu        13.0920099376       10.0544656252       15.0236004996
 Cu        18.4187483481       12.6782102977       17.3675282058
 Cu        18.5532852451       12.0396242729       12.3540313724
 Cu        18.5962842750       12.3168058396       14.8770304389
 Cu        16.0608488303       12.3482424445       18.2266078646
 Cu        15.0956679632       11.5306786191       14.8577580266
 Cu        13.6300002671       12.0955757260       18.8819111941
 Cu        16.2415672972       11.5038077102       11.4742036729
 Cu        13.8501263371       11.0829290665       10.7653214613
 Cu        12.1540278206       11.5350372822       16.9135306882
 Cu        12.2632180333       11.0261175363       12.7320242597
 Cu        10.8163008632       11.1007811343       14.8020238421
 Cu        16.5728557703       13.2991523673       15.9806094908
 Cu        16.6463152868       12.9777296964       13.4474774600
 Cu        14.1711859423       13.0070267098       16.7400759303
 Cu        14.2762191228       12.4937845103       12.6429802370
 Cu        12.7463357739       12.5049044753       14.6832679121
 Cu        18.6261037069       14.6947995801       15.8763852226
 Cu        18.6921555309       14.3702785898       13.3105074138
 Cu        17.0477430333       14.7138759486       17.9572208975
 Cu        17.2391646918       13.8708038727       11.2054166806
 Cu        14.6051540833       14.4172475812       18.7284097989
 Cu        14.7118176409       13.9135665438       14.5632290921
 Cu        14.8214906621       13.3815297810       10.3856148626
 Cu        12.1730510259       13.9077719475       17.9136498122
 Cu        12.3692572737       13.0876301707       11.1634603994
 Cu        10.7393755167       13.4064820128       15.8250542224
 Cu        10.8062490460       13.0912805533       13.2392887090
 Cu        16.6845291208       15.3141888721       14.4394737137
 Cu        15.1356782222       15.3749379888       16.4709396970
 Cu        15.2592869215       14.8169252757       12.3811479735
 Cu        12.7697189471       14.8388011776       15.6786315539
 Cu        12.8410001195       14.5235206132       13.1495014866
 Cu        18.6304625656       16.6852985044       14.3205864015
 Cu        17.1716894725       16.7713317043       16.3930725905
 Cu        17.3123878809       16.2357513341       12.1899906534
 Cu        15.5797217965       16.6988908922       18.3937610697
 Cu        13.1638455957       16.2773557867       17.6641211258
 Cu        15.7946232955       15.7026628747       10.2386661291
 Cu        14.3328376858       16.2943310576       14.2682281464
 Cu        13.3665137106       15.4670425131       10.9047463594
 Cu        10.7887844272       15.4412661375       14.2508142665
 Cu        10.8539018333       15.7424788593       16.7744599631
 Cu        11.0112966993       15.1273769528       11.7560155382
 Cu        16.3640847872       17.7434006538       14.0553946085
 Cu        14.7633385524       17.8419111766       16.2835973882
 Cu        14.8904167772       17.2604194584       12.0339712902
 Cu        12.2747861957       17.2360871518       15.3390301437
 Cu        12.4168034926       16.9638120988       12.8175626487
 Zr        13.9587203437       18.9507477035       14.1180025361
  O        14.0005398136       20.6640971876       15.2073810577
  C        14.3891084186       19.8925865125       16.2562722713
  O        14.6018817734       20.2740917190       17.3931434537
      58
 i =       82, E =     -2681.7887799724
 Zr        15.5139607408        8.9641225854       15.2053200127
 Cu        17.0154381156       10.8498229553       16.3285321452
 Cu        17.0998714598       10.5400429264       13.7549321869
 Cu        14.5618373971       10.5537035603       17.1092316445
 Cu        14.6590972627       10.0411454539       12.9188781718
 Cu        13.0919718992       10.0538987035       15.0230141804
 Cu        18.4184952070       12.6783156344       17.3675419205
 Cu        18.5540289452       12.0390492714       12.3546613604
 Cu        18.5964299896       12.3164100288       14.8776180610
 Cu        16.0610967431       12.3488207053       18.2270649488
 Cu        15.0957485881       11.5302130413       14.8578940042
 Cu        13.6306376254       12.0949086829       18.8821808259
 Cu        16.2420084767       11.5029830037       11.4743883332
 Cu        13.8502163772       11.0827699632       10.7651930313
 Cu        12.1548324603       11.5337446378       16.9137109787
 Cu        12.2632596761       11.0260233154       12.7316610380
 Cu        10.8164349452       11.1004491239       14.8021296082
 Cu        16.5727684053       13.2989727722       15.9806030741
 Cu        16.6465894175       12.9770704020       13.4477754780
 Cu        14.1712342083       13.0067448049       16.7402432265
 Cu        14.2766762375       12.4933372667       12.6428318310
 Cu        12.7465399039       12.5044471436       14.6831962295
 Cu        18.6255963217       14.6955030505       15.8763559783
 Cu        18.6922662381       14.3700527054       13.3109405683
 Cu        17.0474613180       14.7144822673       17.9569159832
 Cu        17.2395663741       13.8695823729       11.2054076076
 Cu        14.6047975361       14.4176219918       18.7285141604
 Cu        14.7117935392       13.9132756038       14.5631121308
 Cu        14.8219923835       13.3812128182       10.3853978967
 Cu        12.1733440096       13.9068148821       17.9141879525
 Cu        12.3695618233       13.0874946480       11.1631047062
 Cu        10.7392411864       13.4046043894       15.8256501505
 Cu        10.8065625312       13.0906187704       13.2391474292
 Cu        16.6841220815       15.3141877189       14.4389225284
 Cu        15.1353252941       15.3744413815       16.4704293389
 Cu        15.2598004115       14.8165802209       12.3809646555
 Cu        12.7694020402       14.8381829547       15.6784163652
 Cu        12.8412128006       14.5230134672       13.1492443338
 Cu        18.6300261584       16.6857968817       14.3198056509
 Cu        17.1710607065       16.7716584831       16.3918796770
 Cu        17.3131510456       16.2350906813       12.1896282276
 Cu        15.5795079364       16.6995211286       18.3925913308
 Cu        13.1634995735       16.2766686561       17.6636747207
 Cu        15.7957640942       15.7023111515       10.2386590922
 Cu        14.3317126067       16.2946338822       14.2674046556
 Cu        13.3672056412       15.4671698510       10.9046122766
 Cu        10.7885517158       15.4398244128       14.2510076199
 Cu        10.8534583036       15.7402699760       16.7749704401
 Cu        11.0113883255       15.1267024354       11.7558472379
 Cu        16.3629196436       17.7433273348       14.0549935932
 Cu        14.7619996984       17.8402908543       16.2820545977
 Cu        14.8906498044       17.2605297644       12.0336188107
 Cu        12.2729137837       17.2357266651       15.3383985266
 Cu        12.4162785438       16.9632940998       12.8167244317
 Zr        13.9565957109       18.9519213859       14.1184409575
  O        14.0005939424       20.6657401206       15.2073437182
  C        14.3888239802       19.8925772443       16.2544309253
  O        14.6019518028       20.2726991438       17.3917383890
      58
 i =       83, E =     -2681.7887819431
 Zr        15.5141929975        8.9639584032       15.2051385695
 Cu        17.0154476796       10.8494812864       16.3290543489
 Cu        17.1001055635       10.5399354049       13.7550842268
 Cu        14.5619032452       10.5531574693       17.1092100955
 Cu        14.6594397405       10.0408966606       12.9186731687
 Cu        13.0921170453       10.0531947274       15.0225083755
 Cu        18.4182165382       12.6783910706       17.3676191082
 Cu        18.5544764239       12.0389443868       12.3550353283
 Cu        18.5965036038       12.3163499657       14.8780793986
 Cu        16.0611240260       12.3489005658       18.2272879260
 Cu        15.0957773431       11.5298833618       14.8579831049
 Cu        13.6310664351       12.0943179759       18.8823190472
 Cu        16.2423883993       11.5027116214       11.4744359719
 Cu        13.8505834854       11.0825968348       10.7650709169
 Cu        12.1552541019       11.5326285822       16.9139022660
 Cu        12.2636028802       11.0256511414       12.7312517088
 Cu        10.8166357747       11.0998953398       14.8018498390
 Cu        16.5725731514       13.2987439972       15.9806220013
 Cu        16.6467262590       12.9768621443       13.4480539389
 Cu        14.1712025305       13.0062727992       16.7402667491
 Cu        14.2769707037       12.4930264196       12.6427563423
 Cu        12.7466580005       12.5039463111       14.6831646207
 Cu        18.6252762762       14.6957006514       15.8763617278
 Cu        18.6924071470       14.3700385270       13.3114022137
 Cu        17.0469925624       14.7147406581       17.9567188723
 Cu        17.2398088113       13.8692030350       11.2055580939
 Cu        14.6045109137       14.4175051187       18.7284086989
 Cu        14.7116673190       13.9131553496       14.5630997240
 Cu        14.8224144163       13.3809362024       10.3851892353
 Cu        12.1735074720       13.9059575495       17.9144598880
 Cu        12.3697047518       13.0871507948       11.1627717818
 Cu        10.7391564248       13.4029690374       15.8261042642
 Cu        10.8066191349       13.0899335906       13.2390331312
 Cu        16.6837875895       15.3143311379       14.4387716264
 Cu        15.1347325128       15.3743600708       16.4700489355
 Cu        15.2599151820       14.8163572728       12.3808761446
 Cu        12.7690014705       14.8376914615       15.6782150103
 Cu        12.8411707126       14.5225874958       13.1491196097
 Cu        18.6296933359       16.6861641826       14.3196418676
 Cu        17.1706558763       16.7717210147       16.3915113786
 Cu        17.3133221516       16.2350038130       12.1897549428
 Cu        15.5790460970       16.6995328923       18.3923168298
 Cu        13.1630940493       16.2761410746       17.6634349679
 Cu        15.7961373422       15.7021149016       10.2386539697
 Cu        14.3307626309       16.2948865965       14.2669829171
 Cu        13.3673397779       15.4669416004       10.9044397187
 Cu        10.7881007344       15.4386990835       14.2511040379
 Cu        10.8528132534       15.7385085013       16.7751270950
 Cu        11.0111610753       15.1257427865       11.7556495907
 Cu        16.3620393299       17.7433221941       14.0548532458
 Cu        14.7615079393       17.8398590248       16.2814650914
 Cu        14.8901382552       17.2605075977       12.0333442964
 Cu        12.2715434138       17.2354714263       15.3381517188
 Cu        12.4153992533       16.9627492954       12.8163791760
 Zr        13.9552614484       18.9526564921       14.1183852919
  O        14.0010218970       20.6663157734       15.2074658652
  C        14.3891843385       19.8928044620       16.2537008507
  O        14.6027690441       20.2721056305       17.3911455752
      58
 i =       84, E =     -2681.7887833097
 Zr        15.5145460743        8.9638614686       15.2049731455
 Cu        17.0154860078       10.8491721762       16.3294587488
 Cu        17.1002802523       10.5400425802       13.7551532277
 Cu        14.5617744055       10.5525414221       17.1090373139
 Cu        14.6599861035       10.0406289042       12.9184515515
 Cu        13.0923613341       10.0525496709       15.0219549951
 Cu        18.4180112907       12.6784399891       17.3676432367
 Cu        18.5547641909       12.0390232482       12.3553311942
 Cu        18.5965316792       12.3163692262       14.8784573890
 Cu        16.0611023002       12.3486296108       18.2273290526
 Cu        15.0957784099       11.5296502724       14.8580159737
 Cu        13.6314748297       12.0936787630       18.8824056469
 Cu        16.2427532998       11.5026538701       11.4744388211
 Cu        13.8511169608       11.0824910714       10.7648855056
 Cu        12.1555249235       11.5315687567       16.9141110320
 Cu        12.2641092672       11.0251348546       12.7307923772
 Cu        10.8168996362       11.0992711051       14.8014241929
 Cu        16.5723588009       13.2984990108       15.9806296036
 Cu        16.6467927832       12.9768615106       13.4482928201
 Cu        14.1711589191       13.0057552540       16.7401994614
 Cu        14.2772112200       12.4928201475       12.6427175152
 Cu        12.7467732293       12.5034983947       14.6831762005
 Cu        18.6250255496       14.6956081076       15.8763079075
 Cu        18.6925853320       14.3700298418       13.3118860579
 Cu        17.0465513886       14.7147102455       17.9565497580
 Cu        17.2399866866       13.8691574862       11.2058550503
 Cu        14.6043435003       14.4171778912       18.7281379649
 Cu        14.7114891574       13.9131737676       14.5630824027
 Cu        14.8228447003       13.3807203229       10.3850473177
 Cu        12.1736879520       13.9051440967       17.9146153246
 Cu        12.3698468186       13.0867133024       11.1625226585
 Cu        10.7392623097       13.4014474839       15.8265157991
 Cu        10.8066477257       13.0892307167       13.2388946737
 Cu        16.6834871070       15.3145013654       14.4387919773
 Cu        15.1340927262       15.3744731340       16.4697250125
 Cu        15.2598656026       14.8162128954       12.3808515812
 Cu        12.7686405956       14.8373654386       15.6780900112
 Cu        12.8410183858       14.5222279566       13.1490656057
 Cu        18.6294424063       16.6863482264       14.3197595694
 Cu        17.1704849988       16.7715772324       16.3915609323
 Cu        17.3132874915       16.2351509010       12.1901095945
 Cu        15.5785965535       16.6992165095       18.3923207143
 Cu        13.1627319170       16.2757228822       17.6633687457
 Cu        15.7962378013       15.7019459666       10.2386905973
 Cu        14.3298697363       16.2950778156       14.2666376629
 Cu        13.3672306738       15.4665275955       10.9043006108
 Cu        10.7876413143       15.4377690058       14.2513388631
 Cu        10.8522178154       15.7368630655       16.7752455718
 Cu        11.0108337943       15.1246202172       11.7555564689
 Cu        16.3614025167       17.7432989914       14.0548527854
 Cu        14.7613644999       17.8398023058       16.2809423172
 Cu        14.8892851863       17.2603178055       12.0331208613
 Cu        12.2704373481       17.2353520051       15.3380323281
 Cu        12.4143259833       16.9622460250       12.8164077613
 Zr        13.9544276467       18.9530113806       14.1180742572
  O        14.0013909401       20.6665135160       15.2073486739
  C        14.3894779270       19.8930118287       16.2532822230
  O        14.6032594843       20.2717843774       17.3907027232
      58
 i =       85, E =     -2681.7887845841
 Zr        15.5151085114        8.9636928032       15.2048090938
 Cu        17.0155259044       10.8489170507       16.3298119256
 Cu        17.1004744587       10.5402793787       13.7552140579
 Cu        14.5615461274       10.5517726423       17.1087033404
 Cu        14.6608229946       10.0403134687       12.9181910923
 Cu        13.0927847495       10.0518154452       15.0212900577
 Cu        18.4178498908       12.6785060291       17.3676822563
 Cu        18.5549879608       12.0392595573       12.3556490714
 Cu        18.5965341348       12.3164117439       14.8788086934
 Cu        16.0610175815       12.3480292371       18.2272044715
 Cu        15.0958051405       11.5294469321       14.8579748314
 Cu        13.6318332242       12.0928883187       18.8824127387
 Cu        16.2432449587       11.5027210987       11.4744528046
 Cu        13.8519541483       11.0823362143       10.7646189704
 Cu        12.1557534665       11.5303147993       16.9142231788
 Cu        12.2648913404       11.0243924188       12.7302664705
 Cu        10.8173052302       11.0983243775       14.8008181660
 Cu        16.5721080127       13.2982618681       15.9806131340
 Cu        16.6468049799       12.9770179095       13.4485004205
 Cu        14.1710842551       13.0051168866       16.7400095392
 Cu        14.2774738335       12.4926535654       12.6426766650
 Cu        12.7469230065       12.5029597982       14.6831722177
 Cu        18.6247855028       14.6953427638       15.8762251124
 Cu        18.6927194833       14.3700666666       13.3124478314
 Cu        17.0460534185       14.7144611048       17.9563870249
 Cu        17.2401323419       13.8693695739       11.2063101751
 Cu        14.6041982178       14.4166232882       18.7276882624
 Cu        14.7112309327       13.9132353900       14.5630282763
 Cu        14.8233433564       13.3805028911       10.3850038760
 Cu        12.1738351089       13.9041881244       17.9146220805
 Cu        12.3700556212       13.0860358350       11.1623098825
 Cu        10.7395562886       13.3997491708       15.8268699874
 Cu        10.8067279958       13.0882656851       13.2387119253
 Cu        16.6831046064       15.3146854679       14.4389526545
 Cu        15.1333503409       15.3746783033       16.4694083973
 Cu        15.2596423690       14.8161232905       12.3808916129
 Cu        12.7682430921       14.8370458323       15.6779853626
 Cu        12.8407271257       14.5217958348       13.1490021848
 Cu        18.6291185568       16.6864330816       14.3201163611
 Cu        17.1703503089       16.7712960189       16.3919284887
 Cu        17.3130026421       16.2354373222       12.1906343829
 Cu        15.5780007095       16.6987051160       18.3924207144
 Cu        13.1622629141       16.2752845575       17.6633431505
 Cu        15.7961095051       15.7017945506       10.2387980761
 Cu        14.3288462214       16.2951328798       14.2663303089
 Cu        13.3668726615       15.4658444915       10.9041846737
 Cu        10.7870781321       15.4367519882       14.2516336317
 Cu        10.8515504221       15.7350632707       16.7753065504
 Cu        11.0103498206       15.1231409523       11.7555067278
 Cu        16.3607594405       17.7432546298       14.0549183296
 Cu        14.7613328900       17.8399843644       16.2803530557
 Cu        14.8880323446       17.2599446182       12.0329828345
 Cu        12.2693332564       17.2351768373       15.3379875943
 Cu        12.4129108217       16.9616772657       12.8167232258
 Zr        13.9536490017       18.9529614397       14.1176370308
  O        14.0015993924       20.6664271825       15.2071291601
  C        14.3894061073       19.8931028543       16.2530379794
  O        14.6036486741       20.2715656588       17.3903609904
      58
 i =       86, E =     -2681.7887857216
 Zr        15.5157335620        8.9634305310       15.2047177983
 Cu        17.0155656490       10.8487325000       16.3300219488
 Cu        17.1006965328       10.5404355948       13.7552771131
 Cu        14.5613246087       10.5510429006       17.1083148096
 Cu        14.6617844091       10.0399646866       12.9179434822
 Cu        13.0932953705       10.0511059120       15.0206318922
 Cu        18.4178230915       12.6785355831       17.3676905752
 Cu        18.5551634553       12.0395207817       12.3559385729
 Cu        18.5965505557       12.3163943387       14.8790181639
 Cu        16.0609302261       12.3472536941       18.2269418597
 Cu        15.0959096695       11.5292209281       14.8578580543
 Cu        13.6320397840       12.0921174234       18.8823108273
 Cu        16.2438172220       11.5027871937       11.4744949180
 Cu        13.8529273704       11.0821134942       10.7643219535
 Cu        12.1559199107       11.5291081108       16.9141231344
 Cu        12.2658059148       11.0235669409       12.7297828371
 Cu        10.8178081557       11.0972108001       14.8001592030
 Cu        16.5719285199       13.2980445773       15.9805543199
 Cu        16.6467876457       12.9771703445       13.4485924327
 Cu        14.1710177005       13.0044797496       16.7397379569
 Cu        14.2777542231       12.4924743553       12.6426161202
 Cu        12.7471167085       12.5023820290       14.6830920774
 Cu        18.6246125689       14.6950665275       15.8761369244
 Cu        18.6927311150       14.3701293630       13.3128976438
 Cu        17.0456536795       14.7140353060       17.9562492718
 Cu        17.2402485709       13.8697056473       11.2067890211
 Cu        14.6041055458       14.4159893672       18.7271963656
 Cu        14.7109829319       13.9131934586       14.5629259420
 Cu        14.8237910333       13.3802960643       10.3850838924
 Cu        12.1738890762       13.9032522889       17.9144790034
 Cu        12.3703255369       13.0852387491       11.1621691860
 Cu        10.7399705432       13.3981978853       15.8269773730
 Cu        10.8069326671       13.0871524680       13.2384669714
 Cu        16.6827062459       15.3147415393       14.4391444968
 Cu        15.1327507542       15.3747626242       16.4691695594
 Cu        15.2593157186       14.8160690385       12.3809785587
 Cu        12.7679362751       14.8367151124       15.6779330377
 Cu        12.8403993232       14.5213028762       13.1489089397
 Cu        18.6287366187       16.6864221878       14.3205142685
 Cu        17.1702003289       16.7709401264       16.3923930767
 Cu        17.3125156921       16.2357069368       12.1911093944
 Cu        15.5774755659       16.6981943227       18.3924701057
 Cu        13.1617972957       16.2748044971       17.6633684794
 Cu        15.7958226628       15.7016612096       10.2389716999
 Cu        14.3279124389       16.2949373422       14.2661433370
 Cu        13.3663824964       15.4650534084       10.9041497186
 Cu        10.7865979632       15.4357896729       14.2518918938
 Cu        10.8510063300       15.7334523171       16.7753252940
 Cu        11.0098214657       15.1216522519       11.7555301804
 Cu        16.3601565258       17.7431246755       14.0550238427
 Cu        14.7611799875       17.8400874645       16.2799705798
 Cu        14.8867087982       17.2594903071       12.0329886753
 Cu        12.2683687181       17.2348626941       15.3380107070
 Cu        12.4115472884       16.9611551050       12.8171824501
 Zr        13.9529938997       18.9526252159       14.1173408775
  O        14.0015431125       20.6661968931       15.2068411180
  C        14.3889966086       19.8930559895       16.2530161970
  O        14.6035827322       20.2714545793       17.3901725595
      58
 i =       87, E =     -2681.7887870854
 Zr        15.5166188867        8.9629411272       15.2046305411
 Cu        17.0156455138       10.8485565711       16.3301629950
 Cu        17.1011181583       10.5404436615       13.7553826476
 Cu        14.5612136828       10.5501362523       17.1078377676
 Cu        14.6631371165       10.0394699537       12.9176139918
 Cu        13.0940376224       10.0500952626       15.0198330449
 Cu        18.4178689032       12.6785380555       17.3677345090
 Cu        18.5554347142       12.0398354890       12.3562896600
 Cu        18.5966248646       12.3163172055       14.8791751872
 Cu        16.0608142206       12.3462561232       18.2265663120
 Cu        15.0961679227       11.5288215829       14.8576363015
 Cu        13.6320867091       12.0911538983       18.8820505031
 Cu        16.2446801822       11.5028095993       11.4745736433
 Cu        13.8542873867       11.0816743791       10.7639277533
 Cu        12.1561287060       11.5275281142       16.9136909455
 Cu        12.2670797943       11.0224325569       12.7292095570
 Cu        10.8185478274       11.0955498483       14.7992795265
 Cu        16.5717785857       13.2978058409       15.9804562571
 Cu        16.6467881773       12.9772655745       13.4486141316
 Cu        14.1709271661       13.0036340459       16.7393427471
 Cu        14.2781658291       12.4921448052       12.6424788964
 Cu        12.7474109542       12.5014910154       14.6828352713
 Cu        18.6244175936       14.6948710268       15.8761083345
 Cu        18.6925681534       14.3703029508       13.3133127553
 Cu        17.0451920931       14.7134612968       17.9561153153
 Cu        17.2403742921       13.8701729814       11.2073340926
 Cu        14.6039347760       14.4151387155       18.7266211793
 Cu        14.7107004800       13.9129023997       14.5627668693
 Cu        14.8242840268       13.3800228109       10.3852732439
 Cu        12.1737883320       13.9019922081       17.9141585836
 Cu        12.3707284992       13.0840876747       11.1619987605
 Cu        10.7404689691       13.3962745429       15.8268239311
 Cu        10.8073119136       13.0855109877       13.2380978905
 Cu        16.6821516792       15.3146593090       14.4393606998
 Cu        15.1321334035       15.3746160088       16.4689513917
 Cu        15.2588287684       14.8159988792       12.3811143981
 Cu        12.7675753175       14.8360989656       15.6778638558
 Cu        12.8399638453       14.5205237064       13.1487211103
 Cu        18.6280855172       16.6864501602       14.3209561198
 Cu        17.1697873671       16.7705499059       16.3928977909
 Cu        17.3117063365       16.2359486265       12.1915357739
 Cu        15.5767919662       16.6976814500       18.3923868558
 Cu        13.1611222209       16.2740241567       17.6633383392
 Cu        15.7953138915       15.7015696297       10.2392267749
 Cu        14.3267734294       16.2944319015       14.2660837112
 Cu        13.3656811047       15.4640058814       10.9041827125
 Cu        10.7860073079       15.4344574359       14.2520492867
 Cu        10.8503453111       15.7315380341       16.7752874255
 Cu        11.0090920825       15.1197798978       11.7555369683
 Cu        16.3592361281       17.7428883321       14.0551311987
 Cu        14.7606005217       17.8400144286       16.2798194552
 Cu        14.8850658189       17.2589201508       12.0331517070
 Cu        12.2671216871       17.2341826715       15.3381211507
 Cu        12.4099001975       16.9604453216       12.8177411163
 Zr        13.9519776603       18.9519462944       14.1173203544
  O        14.0013684797       20.6658376598       15.2065510049
  C        14.3881736737       19.8928676111       16.2531571399
  O        14.6033443149       20.2713985292       17.3901148187
      58
 i =       88, E =     -2681.7887887762
 Zr        15.5178317360        8.9621473860       15.2045246838
 Cu        17.0158376656       10.8483018437       16.3302271251
 Cu        17.1018821368       10.5401852732       13.7555284764
 Cu        14.5613434962       10.5489943495       17.1073150941
 Cu        14.6650091775       10.0387385095       12.9171570952
 Cu        13.0950601127       10.0486187993       15.0188424037
 Cu        18.4179651603       12.6784675975       17.3677916349
 Cu        18.5559130342       12.0401859918       12.3567028890
 Cu        18.5968171647       12.3161895251       14.8792892903
 Cu        16.0607005278       12.3451021060       18.2261345534
 Cu        15.0966517951       11.5280912284       14.8573160302
 Cu        13.6319697524       12.0899154087       18.8815915151
 Cu        16.2459259408       11.5027143543       11.4746620404
 Cu        13.8560935177       11.0809356432       10.7634197194
 Cu        12.1564280366       11.5254272163       16.9128562271
 Cu        12.2687862991       11.0208818664       12.7284658447
 Cu        10.8195886162       11.0932347341       14.7981112196
 Cu        16.5716865872       13.2974788415       15.9803253301
 Cu        16.6468807548       12.9771729769       13.4485838264
 Cu        14.1708223319       13.0024712233       16.7388412995
 Cu        14.2787975178       12.4915153126       12.6422306810
 Cu        12.7478542599       12.5001307353       14.6823158807
 Cu        18.6241417383       14.6948792006       15.8761876236
 Cu        18.6922126778       14.3706397626       13.3136327533
 Cu        17.0446445585       14.7127771165       17.9559782500
 Cu        17.2405254425       13.8707103008       11.2078989928
 Cu        14.6036115826       14.4140289705       18.7260141509
 Cu        14.7104248595       13.9121934804       14.5625568425
 Cu        14.8248179407       13.3796435884       10.3855262778
 Cu        12.1734976400       13.9002418084       17.9136654513
 Cu        12.3712988335       13.0825093939       11.1617483773
 Cu        10.7409482314       13.3937710273       15.8263149563
 Cu        10.8079051949       13.0831768641       13.2375414866
 Cu        16.6814162505       15.3143683850       14.4395325236
 Cu        15.1315008433       15.3740492693       16.4687561432
 Cu        15.2581996365       14.8158303429       12.3812867272
 Cu        12.7671282157       14.8349877444       15.6777371161
 Cu        12.8394606916       14.5193037673       13.1484173226
 Cu        18.6270693289       16.6866137377       14.3213343820
 Cu        17.1689605875       16.7701606593       16.3932814301
 Cu        17.3105606732       16.2361163308       12.1918344233
 Cu        15.5759413000       16.6971440625       18.3921256649
 Cu        13.1602003674       16.2727091765       17.6632179546
 Cu        15.7945679108       15.7015182966       10.2395610365
 Cu        14.3253556504       16.2935506865       14.2661997413
 Cu        13.3647954454       15.4627102766       10.9042922914
 Cu        10.7852737083       15.4325429246       14.2520415777
 Cu        10.8495142161       15.7290923883       16.7752188457
 Cu        11.0081505699       15.1174423962       11.7554917933
 Cu        16.3578132440       17.7424721259       14.0552348419
 Cu        14.7592838943       17.8394825164       16.2800919727
 Cu        14.8831057544       17.2582454190       12.0334738674
 Cu        12.2653541874       17.2329730303       15.3383376498
 Cu        12.4079690904       16.9593815514       12.8182933249
 Zr        13.9503768192       18.9509858381       14.1177525303
  O        14.0011137898       20.6654149855       15.2062640548
  C        14.3870735183       19.8925361069       16.2534502942
  O        14.6028195061       20.2713392819       17.3901681423
      58
 i =       89, E =     -2681.7887906701
 Zr        15.5194068871        8.9610484008       15.2043053904
 Cu        17.0162281028       10.8479386699       16.3302161357
 Cu        17.1030874210       10.5396961770       13.7556806334
 Cu        14.5618855614       10.5476018784       17.1068234206
 Cu        14.6673824852       10.0377922806       12.9165506628
 Cu        13.0963512762       10.0466178350       15.0177264040
 Cu        18.4179931650       12.6783339851       17.3679143977
 Cu        18.5566678484       12.0406180101       12.3571179741
 Cu        18.5971618710       12.3161373525       14.8794181085
 Cu        16.0605862059       12.3440163305       18.2257967666
 Cu        15.0973623056       11.5269843475       14.8569439004
 Cu        13.6316918288       12.0883794027       18.8809558606
 Cu        16.2475217693       11.5025276311       11.4746838719
 Cu        13.8582504331       11.0798714790       10.7628320783
 Cu        12.1568435373       11.5227964402       16.9116792009
 Cu        12.2708356285       11.0189201686       12.7275311563
 Cu        10.8208654173       11.0903229195       14.7966936014
 Cu        16.5716348698       13.2970686909       15.9802130787
 Cu        16.6471392396       12.9768578361       13.4485730278
 Cu        14.1706905485       13.0009521426       16.7383088747
 Cu        14.2796635374       12.4905284400       12.6418618102
 Cu        12.7484179822       12.4982548785       14.6815216433
 Cu        18.6236989441       14.6951981176       15.8764526753
 Cu        18.6917013133       14.3712262570       13.3138129996
 Cu        17.0439581397       14.7121717197       17.9558738360
 Cu        17.2406630952       13.8712566305       11.2083657805
 Cu        14.6030105281       14.4126663435       18.7254934382
 Cu        14.7101984788       13.9110235090       14.5623499589
 Cu        14.8253338990       13.3791784292       10.3857284190
 Cu        12.1729869314       13.8979375219       17.9130387265
 Cu        12.3719825943       13.0805647403       11.1613689072
 Cu        10.7411685001       13.3906574657       15.8254743993
 Cu        10.8086079312       13.0802082611       13.2368381606
 Cu        16.6805314763       15.3139174104       14.4396244657
 Cu        15.1308129499       15.3730092631       16.4686168164
 Cu        15.2574993128       14.8155004618       12.3814685457
 Cu        12.7665091874       14.8332337270       15.6774694470
 Cu        12.8389521033       14.5176127992       13.1480123042
 Cu        18.6256632871       16.6870501806       14.3215799636
 Cu        17.1675990866       16.7699162678       16.3934008187
 Cu        17.3091937909       16.2362095287       12.1919480441
 Cu        15.5748210655       16.6965532352       18.3917679289
 Cu        13.1590060205       16.2707418794       17.6629200770
 Cu        15.7935932435       15.7015708908       10.2399187665
 Cu        14.3236741063       16.2923794380       14.2665548498
 Cu        13.3638171265       15.4613067332       10.9044362869
 Cu        10.7843131385       15.4299680368       14.2517603883
 Cu        10.8484279677       15.7260596651       16.7751200482
 Cu        11.0070766657       15.1147352509       11.7552910407
 Cu        16.3558044137       17.7419125992       14.0553024725
 Cu        14.7571069730       17.8384615486       16.2808541025
 Cu        14.8809861147       17.2575348102       12.0339310468
 Cu        12.2629874849       17.2311969230       15.3386858355
 Cu        12.4058479452       16.9578238963       12.8186872142
 Zr        13.9480190222       18.9497695164       14.1187129510
  O        14.0009652357       20.6649547641       15.2060890480
  C        14.3859068819       19.8920740442       16.2538091861
  O        14.6023474059       20.2712483268       17.3903223872
      58
 i =       90, E =     -2681.7887923823
 Zr        15.5210692718        8.9599202472       15.2039507330
 Cu        17.0168375742       10.8474896065       16.3301209596
 Cu        17.1045227762       10.5392006323       13.7557462940
 Cu        14.5627747334       10.5462057232       17.1064735032
 Cu        14.6697951428       10.0368295897       12.9159126855
 Cu        13.0976594123       10.0445281908       15.0167211878
 Cu        18.4178936192       12.6781698489       17.3680549256
 Cu        18.5575701163       12.0411370714       12.3573707529
 Cu        18.5976210991       12.3163102695       14.8795619170
 Cu        16.0605158469       12.3432904264       18.2256942967
 Cu        15.0981342575       11.5257193978       14.8566470932
 Cu        13.6314030742       12.0867695296       18.8803228322
 Cu        16.2490966974       11.5023424811       11.4745397155
 Cu        13.8602722142       11.0787202513       10.7622951127
 Cu        12.1572727372       11.5201949733       16.9105575569
 Cu        12.2727845386       11.0168805766       12.7265464033
 Cu        10.8220747398       11.0874677180       14.7953140643
 Cu        16.5716197142       13.2966068352       15.9801732938
 Cu        16.6475595855       12.9764020952       13.4486337798
 Cu        14.1705712519       12.9993219370       16.7379014777
 Cu        14.2806024990       12.4893587963       12.6414687252
 Cu        12.7489720564       12.4962599671       14.6806696024
 Cu        18.6231107198       14.6957444164       15.8768362948
 Cu        18.6912341476       14.3719741353       13.3138024035
 Cu        17.0432644133       14.7118179555       17.9558343375
 Cu        17.2407251653       13.8716881563       11.2085788636
 Cu        14.6021988715       14.4112552227       18.7252081956
 Cu        14.7100972045       13.9096722889       14.5622208175
 Cu        14.8256946074       13.3787361858       10.3857314034
 Cu        12.1723923025       13.8954743566       17.9124338815
 Cu        12.3726003752       13.0786880795       11.1609356018
 Cu        10.7409556291       13.3875325782       15.8244954053
 Cu        10.8092005129       13.0772594767       13.2361300407
 Cu        16.6797268420       15.3134493944       14.4396154974
 Cu        15.1301533156       15.3717257849       16.4685871893
 Cu        15.2569272100       14.8150052304       12.3816073289
 Cu        12.7658035341       14.8311552445       15.6770697186
 Cu        12.8386030293       14.5157967576       13.1476307534
 Cu        18.6242030633       16.6877029633       14.3216352656
 Cu        17.1660179484       16.7698720752       16.3932184725
 Cu        17.3079963460       16.2362787748       12.1919102040
 Cu        15.5736314696       16.6958303872       18.3915739312
 Cu        13.1578189236       16.2684071272       17.6625473140
 Cu        15.7925994612       15.7016978911       10.2402044434
 Cu        14.3220919345       16.2912154752       14.2670888944
 Cu        13.3630070984       15.4601477038       10.9045418213
 Cu        10.7832903078       15.4272489168       14.2512688031
 Cu        10.8473039665       15.7229298635       16.7750463532
 Cu        11.0062038723       15.1122482425       11.7549558291
 Cu        16.3536542224       17.7413156099       14.0553630134
 Cu        14.7545281125       17.8371419496       16.2819537611
 Cu        14.8791656928       17.2569026706       12.0344025740
 Cu        12.2604940917       17.2292506372       15.3390945597
 Cu        12.4040308547       16.9559873036       12.8188326684
 Zr        13.9454467493       18.9486096440       14.1199218146
  O        14.0009659776       20.6645460064       15.2060233405
  C        14.3851382228       19.8915806649       16.2541038353
  O        14.6019688598       20.2710962745       17.3904774479
      58
 i =       91, E =     -2681.7887937016
 Zr        15.5227227228        8.9589656320       15.2034407023
 Cu        17.0176118758       10.8470605448       16.3299840565
 Cu        17.1059525170       10.5390025330       13.7556837799
 Cu        14.5638099495       10.5448695111       17.1062075938
 Cu        14.6719909607       10.0360170816       12.9153144922
 Cu        13.0988880819       10.0426552488       15.0159115149
 Cu        18.4176652511       12.6780854602       17.3682355912
 Cu        18.5584649239       12.0418256036       12.3574174522
 Cu        18.5981211991       12.3167990469       14.8797490662
 Cu        16.0604695772       12.3428858119       18.2258013121
 Cu        15.0988189634       11.5245712090       14.8564615999
 Cu        13.6312292391       12.0851330667       18.8798281863
 Cu        16.2504420837       11.5023116422       11.4742066496
 Cu        13.8619837249       11.0776615526       10.7618429769
 Cu        12.1576450354       11.5178584530       16.9097606817
 Cu        12.2744583054       11.0149258595       12.7256174050
 Cu        10.8230578161       11.0849291298       14.7940976652
 Cu        16.5715727804       13.2961616974       15.9802189183
 Cu        16.6480505850       12.9760409181       13.4487766333
 Cu        14.1704647050       12.9977121255       16.7376367276
 Cu        14.2814681530       12.4882468001       12.6411293209
 Cu        12.7494162406       12.4944333495       14.6799697758
 Cu        18.6224197582       14.6963145004       15.8772385336
 Cu        18.6909431726       14.3727988325       13.3137271543
 Cu        17.0425778981       14.7117148587       17.9558649215
 Cu        17.2406840703       13.8720546435       11.2085632206
 Cu        14.6012530553       14.4098263883       18.7251081925
 Cu        14.7100653648       13.9084793050       14.5621862783
 Cu        14.8258997925       13.3783880220       10.3855192195
 Cu        12.1718157097       13.8930481935       17.9118994732
 Cu        12.3730607018       13.0770606986       11.1605232601
 Cu        10.7403955166       13.3846731646       15.8236083498
 Cu        10.8095539677       13.0746744390       13.2355254815
 Cu        16.6790725093       15.3131382398       14.4396088035
 Cu        15.1294453693       15.3705540004       16.4686587447
 Cu        15.2565248411       14.8144292170       12.3816998173
 Cu        12.7650318574       14.8290881671       15.6765799988
 Cu        12.8384037270       14.5141312504       13.1473414268
 Cu        18.6228943105       16.6884473222       14.3216612363
 Cu        17.1644980691       16.7699772911       16.3929756595
 Cu        17.3071165005       16.2364337287       12.1919084200
 Cu        15.5723498990       16.6948890402       18.3917462344
 Cu        13.1567093504       16.2660041919       17.6622097152
 Cu        15.7916922030       15.7018698805       10.2403942718
 Cu        14.3207273508       16.2902647428       14.2676833832
 Cu        13.3624123545       15.4592886769       10.9045562178
 Cu        10.7822484829       15.4246962286       14.2507028202
 Cu        10.8462070308       15.7199382828       16.7749929705
 Cu        11.0056548798       15.1101573152       11.7545291129
 Cu        16.3516880221       17.7408192294       14.0554531628
 Cu        14.7520947129       17.8359642733       16.2830208367
 Cu        14.8776803406       17.2563336216       12.0348357561
 Cu        12.2582451874       17.2274477816       15.3395008779
 Cu        12.4025658194       16.9540984804       12.8188785565
 Zr        13.9430657784       18.9475727954       14.1210001992
  O        14.0011185724       20.6641522348       15.2060347867
  C        14.3847961851       19.8911095005       16.2542541737
  O        14.6018965466       20.2709224677       17.3905657134
      58
 i =       92, E =     -2681.7887946696
 Zr        15.5243288098        8.9582741578       15.2028509545
 Cu        17.0184707292       10.8467252683       16.3298127889
 Cu        17.1072140383       10.5391826618       13.7554994790
 Cu        14.5647674751       10.5436068921       17.1059285677
 Cu        14.6739011992       10.0353851861       12.9147951242
 Cu        13.1000270782       10.0411423925       15.0152519471
 Cu        18.4174459948       12.6781339967       17.3684080314
 Cu        18.5592446016       12.0426803116       12.3572967564
 Cu        18.5986242551       12.3175306663       14.8799266266
 Cu        16.0604630744       12.3425485567       18.2259568109
 Cu        15.0993793908       11.5236743238       14.8563479163
 Cu        13.6312274829       12.0834536082       18.8794993561
 Cu        16.2515251560       11.5024571912       11.4737431691
 Cu        13.8634191403       11.0767825445       10.7614491242
 Cu        12.1579190224       11.5158283154       16.9093134376
 Cu        12.2759017572       11.0130875539       12.7248070786
 Cu        10.8238396285       11.0827215083       14.7930380090
 Cu        16.5714955024       13.2957471448       15.9803017313
 Cu        16.6485122480       12.9758948638       13.4489177043
 Cu        14.1703923543       12.9961721786       16.7374443262
 Cu        14.2822017299       12.4873240415       12.6408769869
 Cu        12.7497498295       12.4929016584       14.6795105314
 Cu        18.6217316740       14.6967578551       15.8775503757
 Cu        18.6908466531       14.3735948097       13.3136805803
 Cu        17.0419473021       14.7116742980       17.9559305844
 Cu        17.2405849700       13.8724259883       11.2084217436
 Cu        14.6003077664       14.4083429979       18.7250639673
 Cu        14.7100429926       13.9075926768       14.5621987005
 Cu        14.8260075659       13.3781345364       10.3851957361
 Cu        12.1713124717       13.8907255117       17.9114150861
 Cu        12.3733889601       13.0756749760       11.1602049191
 Cu        10.7397557745       13.3821649262       15.8228639148
 Cu        10.8097466253       13.0724927229       13.2350060403
 Cu        16.6785552897       15.3129934224       14.4396754662
 Cu        15.1286918259       15.3696492157       16.4687989930
 Cu        15.2562482454       14.8138602430       12.3817670295
 Cu        12.7642921627       14.8272723911       15.6761068196
 Cu        12.8383005404       14.5127247138       13.1471483636
 Cu        18.6218334705       16.6891167050       14.3217828490
 Cu        17.1632393661       16.7700689607       16.3928991064
 Cu        17.3064934486       16.2367039085       12.1920676632
 Cu        15.5710466795       16.6937209637       18.3922792713
 Cu        13.1557002810       16.2636932837       17.6620680928
 Cu        15.7909247854       15.7020081802       10.2405355443
 Cu        14.3196037153       16.2895129916       14.2682327770
 Cu        13.3619760973       15.4586045874       10.9045049754
 Cu        10.7813051676       15.4224562998       14.2502187310
 Cu        10.8452386047       15.7171755120       16.7749599701
 Cu        11.0054008291       15.1084270897       11.7541258784
 Cu        16.3500954012       17.7404375529       14.0556269274
 Cu        14.7501026065       17.8350636082       16.2838896508
 Cu        14.8763780264       17.2557581690       12.0352359151
 Cu        12.2564384776       17.2259063904       15.3398589645
 Cu        12.4013849881       16.9523733434       12.8190232213
 Zr        13.9411869643       18.9467018142       14.1217621128
  O        14.0012495372       20.6637523627       15.2060128657
  C        14.3846908480       19.8906647238       16.2543259023
  O        14.6018128401       20.2707478625       17.3905819656
      58
 i =       93, E =     -2681.7887954589
 Zr        15.5260961930        8.9577361611       15.2021688686
 Cu        17.0194176815       10.8465330182       16.3296066002
 Cu        17.1084045660       10.5397082154       13.7552228556
 Cu        14.5656593814       10.5422409427       17.1055360928
 Cu        14.6757598372       10.0348564448       12.9142907086
 Cu        13.1012453215       10.0397559314       15.0146033663
 Cu        18.4173025659       12.6783744778       17.3686107927
 Cu        18.5599691168       12.0437556199       12.3570976323
 Cu        18.5991592445       12.3184707766       14.8800865903
 Cu        16.0604814387       12.3420303907       18.2260450876
 Cu        15.0999079545       11.5229678938       14.8562151263
 Cu        13.6313361217       12.0815057152       18.8792474130
 Cu        16.2525471475       11.5027675402       11.4732022129
 Cu        13.8648603422       11.0759708916       10.7610328377
 Cu        12.1581449778       11.5137364881       16.9090002529
 Cu        12.2773819580       11.0111517022       12.7240712677
 Cu        10.8246015901       11.0804126370       14.7919693621
 Cu        16.5713768437       13.2953728975       15.9803863768
 Cu        16.6489177181       12.9759988251       13.4489948683
 Cu        14.1703321887       12.9945315745       16.7372189382
 Cu        14.2828677483       12.4865423766       12.6406638545
 Cu        12.7500317473       12.4914504560       14.6792090134
 Cu        18.6210570721       14.6971174013       15.8778007762
 Cu        18.6908378041       14.3744253390       13.3137431727
 Cu        17.0412607352       14.7115717291       17.9560259194
 Cu        17.2404775191       13.8729069677       11.2082330795
 Cu        14.5993065020       14.4065992285       18.7249755256
 Cu        14.7099570855       13.9069064113       14.5622140541
 Cu        14.8261048730       13.3779240968       10.3848573762
 Cu        12.1707848787       13.8882017576       17.9108804325
 Cu        12.3736789655       13.0742735902       11.1599532600
 Cu        10.7391724952       13.3796534264       15.8221753715
 Cu        10.8099219497       13.0703258046       13.2344894763
 Cu        16.6780218058       15.3129708277       14.4398721728
 Cu        15.1277924416       15.3689254702       16.4689864020
 Cu        15.2559808091       14.8133326985       12.3818418096
 Cu        12.7635343646       14.8255600588       15.6756743623
 Cu        12.8381795740       14.5114033185       13.1469801159
 Cu        18.6208359248       16.6897371582       14.3221094283
 Cu        17.1620659706       16.7700898315       16.3931132594
 Cu        17.3058957496       16.2370818769       12.1924239390
 Cu        15.5695209254       16.6923473621       18.3930626292
 Cu        13.1545713960       16.2612873081       17.6621395347
 Cu        15.7902109738       15.7021291524       10.2406889357
 Cu        14.3185092986       16.2888108386       14.2687483154
 Cu        13.3615484470       15.4578617809       10.9044256441
 Cu        10.7803835952       15.4202367673       14.2498074111
 Cu        10.8442642966       15.7143532799       16.7749040775
 Cu        11.0052594435       15.1067314457       11.7537423406
 Cu        16.3486588366       17.7401481272       14.0558962652
 Cu        14.7483758682       17.8343900840       16.2845804086
 Cu        14.8749468533       17.2551016222       12.0356765569
 Cu        12.2548765483       17.2244176197       15.3402120852
 Cu        12.4001863358       16.9507398480       12.8193701382
 Zr        13.9395428288       18.9458284265       14.1223232743
  O        14.0013334725       20.6632992862       15.2059657306
  C        14.3845479334       19.8902075848       16.2543988661
  O        14.6017853185       20.2706194402       17.3905809535
      58
 i =       94, E =     -2681.7887961732
 Zr        15.5281615183        8.9572544263       15.2014156237
 Cu        17.0204809888       10.8464731430       16.3293444736
 Cu        17.1096512828       10.5404558472       13.7548771560
 Cu        14.5665189681       10.5406597500       17.1049889339
 Cu        14.6777564761       10.0343158987       12.9137592209
 Cu        13.1026612770       10.0382803265       15.0138597668
 Cu        18.4173163743       12.6788082330       17.3688043366
 Cu        18.5607295340       12.0450379697       12.3568814318
 Cu        18.5997844539       12.3195661252       14.8801872915
 Cu        16.0605561059       12.3411489737       18.2259817432
 Cu        15.1005147144       11.5223310455       14.8559961382
 Cu        13.6315084174       12.0791112382       18.8789745345
 Cu        16.2536858456       11.5031596759       11.4726304964
 Cu        13.8665137112       11.0751147750       10.7605480394
 Cu        12.1583604476       11.5113298407       16.9086201878
 Cu        12.2790980891       11.0089185176       12.7233619190
 Cu        10.8255068130       11.0776725042       14.7907601579
 Cu        16.5712500384       13.2950100343       15.9804384119
 Cu        16.6492776226       12.9762853223       13.4489476262
 Cu        14.1702875281       12.9926586418       16.7368966063
 Cu        14.2835442655       12.4857913570       12.6404412330
 Cu        12.7503357564       12.4898770229       14.6789552957
 Cu        18.6204125704       14.6974886243       15.8780184327
 Cu        18.6908299703       14.3753304870       13.3139168074
 Cu        17.0404669914       14.7112836058       17.9561491382
 Cu        17.2404273678       13.8735248723       11.2080317502
 Cu        14.5982252877       14.4044362881       18.7248068837
 Cu        14.7097892344       13.9062557111       14.5621967753
 Cu        14.8262548844       13.3776900792       10.3845615945
 Cu        12.1701549825       13.8852367374       17.9102404563
 Cu        12.3740132994       13.0726571847       11.1597359186
 Cu        10.7387305804       13.3768755223       15.8214029744
 Cu        10.8102453038       13.0678368213       13.2338634316
 Cu        16.6773715773       15.3129802693       14.4401866410
 Cu        15.1267246738       15.3682135396       16.4692122175
 Cu        15.2556600852       14.8128411509       12.3819329478
 Cu        12.7627647158       14.8237968839       15.6753240879
 Cu        12.8379951465       14.5099947803       13.1467794697
 Cu        18.6197612427       16.6903483897       14.3226466937
 Cu        17.1608246667       16.7699707842       16.3936301530
 Cu        17.3051599363       16.2375282954       12.1929408024
 Cu        15.5677379908       16.6907855186       18.3939659700
 Cu        13.1531983102       16.2585670071       17.6624873689
 Cu        15.7895106511       15.7022264462       10.2408952078
 Cu        14.3173161591       16.2880146428       14.2692443691
 Cu        13.3610510908       15.4568939230       10.9043563779
 Cu        10.7794925824       15.4177941722       14.2494553286
 Cu        10.8432348080       15.7112627659       16.7748159956
 Cu        11.0051022084       15.1048709946       11.7533940196
 Cu        16.3471832998       17.7398776956       14.0562912648
 Cu        14.7466459742       17.8337231912       16.2852626305
 Cu        14.8731982111       17.2543327768       12.0361878857
 Cu        12.2533573252       17.2227882562       15.3405978528
 Cu        12.3988203605       16.9491236247       12.8199300496
 Zr        13.9379373818       18.9449308161       14.1228696412
  O        14.0012856031       20.6628114041       15.2058935336
  C        14.3842266246       19.8897218312       16.2545604829
  O        14.6016136591       20.2705297655       17.3906023738
      58
 i =       95, E =     -2681.7887969784
 Zr        15.5310877953        8.9565865386       15.2004223966
 Cu        17.0218862346       10.8465197416       16.3289755355
 Cu        17.1113790609       10.5414464653       13.7544362508
 Cu        14.5676054244       10.5384188062       17.1041468503
 Cu        14.6804911058       10.0335571063       12.9130368213
 Cu        13.1046821851       10.0361437888       15.0127875175
 Cu        18.4174811433       12.6795120875       17.3690344508
 Cu        18.5617931210       12.0467783505       12.3566925087
 Cu        18.6006654649       12.3210053867       14.8802583944
 Cu        16.0606975931       12.3396137644       18.2257206680
 Cu        15.1014281129       11.5215007557       14.8555821670
 Cu        13.6316938383       12.0756094789       18.8785002804
 Cu        16.2553662515       11.5036526854       11.4719713971
 Cu        13.8689251396       11.0739067840       10.7598595326
 Cu        12.1586698837       11.5078528146       16.9078667223
 Cu        12.2815472091       11.0057399178       12.7224655823
 Cu        10.8268755520       11.0735768323       14.7890480254
 Cu        16.5710884302       13.2945931144       15.9804564817
 Cu        16.6496908202       12.9767404997       13.4487634168
 Cu        14.1702246055       12.9900601647       16.7363679334
 Cu        14.2844393346       12.4847974516       12.6401009162
 Cu        12.7507820488       12.4876145531       14.6785461304
 Cu        18.6196369551       14.6980802535       15.8783391715
 Cu        18.6907157213       14.3765824574       13.3142568624
 Cu        17.0392857710       14.7106980944       17.9563527923
 Cu        17.2404741932       13.8744417325       11.2078273905
 Cu        14.5967793796       14.4012794409       18.7245238180
 Cu        14.7094792929       13.9053291280       14.5621282365
 Cu        14.8265629323       13.3773322440       10.3842886365
 Cu        12.1692071745       13.8809929107       17.9093274975
 Cu        12.3745279844       13.0703058811       11.1594452680
 Cu        10.7383598067       13.3729868968       15.8202898985
 Cu        10.8108946008       13.0641744067       13.2329333567
 Cu        16.6763544437       15.3129713463       14.4406689428
 Cu        15.1252037942       15.3672094881       16.4695106267
 Cu        15.2551511221       14.8122894605       12.3820679430
 Cu        12.7617801758       14.8214117267       15.6750018075
 Cu        12.8376407610       14.5080356158       13.1464558562
 Cu        18.6181866238       16.6911885734       14.3235173218
 Cu        17.1590309986       16.7696902085       16.3945338045
 Cu        17.3039829081       16.2381065848       12.1936624256
 Cu        15.5652445180       16.6887730412       18.3950164391
 Cu        13.1511376884       16.2547924537       17.6631696292
 Cu        15.7886128382       15.7023768357       10.2412208289
 Cu        14.3156151420       16.2868666628       14.2698458583
 Cu        13.3602927093       15.4553701403       10.9043079522
 Cu        10.7783765975       15.4143322213       14.2490392293
 Cu        10.8418142211       15.7070832439       16.7746592948
 Cu        11.0047290183       15.1022575965       11.7529873606
 Cu        16.3450699666       17.7395317329       14.0568898567
 Cu        14.7442307368       17.8327813575       16.2862129856
 Cu        14.8706189026       17.2533097768       12.0368801839
 Cu        12.2513102016       17.2204763752       15.3411558072
 Cu        12.3968004430       16.9470549335       12.8207647617
 Zr        13.9356693441       18.9437323495       14.1237247598
  O        14.0011493171       20.6622134726       15.2058408482
  C        14.3835552068       19.8891237809       16.2548693098
  O        14.6014527833       20.2704908543       17.3906734984
      58
 i =       96, E =     -2681.7887979190
 Zr        15.5357439531        8.9554414620       15.1989327201
 Cu        17.0240318242       10.8466215274       16.3283734919
 Cu        17.1142403042       10.5427950323       13.7538252546
 Cu        14.5692715176       10.5348482951       17.1027729179
 Cu        14.6848422084       10.0322578508       12.9119093556
 Cu        13.1079406778       10.0326025980       15.0110715235
 Cu        18.4178394659       12.6805927091       17.3692989215
 Cu        18.5635493989       12.0494192179       12.3565410185
 Cu        18.6020953830       12.3231624309       14.8803025500
 Cu        16.0609696831       12.3369074595       18.2251671666
 Cu        15.1030029068       11.5201056658       14.8548206595
 Cu        13.6318811226       12.0698751755       18.8775489892
 Cu        16.2582084427       11.5042965275       11.4710996236
 Cu        13.8729080736       11.0718950728       10.7587723152
 Cu        12.1591880576       11.5022865360       16.9063375138
 Cu        12.2854214666       11.0005507385       12.7210684822
 Cu        10.8291523292       11.0667523834       14.7863155440
 Cu        16.5708767100       13.2939903306       15.9804388287
 Cu        16.6503172440       12.9773701584       13.4484061222
 Cu        14.1701338368       12.9859871785       16.7354814267
 Cu        14.2858512282       12.4831372758       12.6394995887
 Cu        12.7515489395       12.4838453414       14.6777071832
 Cu        18.6184871246       14.6991756005       15.8789346657
 Cu        18.6904008626       14.3785930384       13.3148214031
 Cu        17.0373440593       14.7095633018       17.9567353874
 Cu        17.2406831011       13.8759229418       11.2076167858
 Cu        14.5945753488       14.3961576777       18.7241050576
 Cu        14.7089571236       13.9036967184       14.5619800452
 Cu        14.8271733159       13.3767052335       10.3839828097
 Cu        12.1676620362       13.8741857070       17.9079065288
 Cu        12.3754175691       13.0664502187       11.1589632991
 Cu        10.7379805090       13.3668455560       15.8184035383
 Cu        10.8121264638       13.0580853232       13.2313699873
 Cu        16.6746368319       15.3128692874       14.4413997219
 Cu        15.1228053300       15.3654765661       16.4699767295
 Cu        15.2542837952       14.8115096029       12.3822801845
 Cu        12.7603435571       14.8175833425       15.6746819440
 Cu        12.8370041963       14.5048608121       13.1459133222
 Cu        18.6155180713       16.6925840041       14.3249257390
 Cu        17.1560434026       16.7691417809       16.3960112631
 Cu        17.3019617608       16.2389701789       12.1947034840
 Cu        15.5614575721       16.6857544572       18.3963808677
 Cu        13.1477514663       16.2488176443       17.6644509193
 Cu        15.7872264719       15.7026606365       10.2417751900
 Cu        14.3128905278       16.2849620724       14.2707275615
 Cu        13.3590184426       15.4527984976       10.9042899985
 Cu        10.7767403608       15.4086720377       14.2484274176
 Cu        10.8395813437       15.7006273295       16.7744010810
 Cu        11.0039342426       15.0981019558       11.7524440793
 Cu        16.3414801903       17.7389406624       14.0578918997
 Cu        14.7401236271       17.8310990743       16.2879237607
 Cu        14.8664339205       17.2517979553       12.0379105099
 Cu        12.2480062400       17.2166493194       15.3420830960
 Cu        12.3934893935       16.9438209577       12.8220163815
 Zr        13.9318838886       18.9419117011       14.1253196556
  O        14.0008573749       20.6613867479       15.2058225346
  C        14.3823234400       19.8882684156       16.2554414352
  O        14.6011824082       20.2704676963       17.3908156975
      58
 i =       97, E =     -2681.7887987854
 Zr        15.5379256810        8.9550022210       15.1982541910
 Cu        17.0249888102       10.8468450874       16.3279899474
 Cu        17.1156568286       10.5434437357       13.7535620293
 Cu        14.5699843211       10.5332236853       17.1020627383
 Cu        14.6865753912       10.0317019673       12.9114689837
 Cu        13.1094592032       10.0310525105       15.0104532233
 Cu        18.4181570864       12.6811756516       17.3693312184
 Cu        18.5643584355       12.0506676842       12.3565338252
 Cu        18.6028330613       12.3242661676       14.8802123471
 Cu        16.0611993701       12.3353126903       18.2247581362
 Cu        15.1038415034       11.5195726311       14.8543456549
 Cu        13.6319026083       12.0668190356       18.8768964692
 Cu        16.2595736226       11.5045970793       11.4708273139
 Cu        13.8747252428       11.0709601935       10.7583189391
 Cu        12.1594049809       11.4999358368       16.9053432050
 Cu        12.2868599847       10.9980707348       12.7206175622
 Cu        10.8301255457       11.0633877699       14.7852676683
 Cu        16.5708279726       13.2938758956       15.9804143109
 Cu        16.6505454652       12.9777432106       13.4481308815
 Cu        14.1701475199       12.9842461960       16.7350749524
 Cu        14.2863418273       12.4824054119       12.6391908230
 Cu        12.7518742109       12.4820359909       14.6772059588
 Cu        18.6180677080       14.6998772040       15.8793471572
 Cu        18.6901964561       14.3796153592       13.3151312003
 Cu        17.0363722064       14.7088148214       17.9570826497
 Cu        17.2409246645       13.8767030908       11.2075498163
 Cu        14.5936548466       14.3935547637       18.7240749133
 Cu        14.7086815972       13.9029206744       14.5619011327
 Cu        14.8275122084       13.3764568925       10.3839627228
 Cu        12.1669343665       13.8709922302       17.9073590459
 Cu        12.3758205794       13.0647087741       11.1588027579
 Cu        10.7380330572       13.3644797371       15.8174608836
 Cu        10.8127869988       13.0552420737       13.2306195270
 Cu        16.6738014033       15.3128260323       14.4417724904
 Cu        15.1216828105       15.3646652929       16.4702994230
 Cu        15.2539019186       14.8113221093       12.3823642895
 Cu        12.7599134565       14.8158699310       15.6748745532
 Cu        12.8366727613       14.5035035933       13.1457179511
 Cu        18.6141674700       16.6933069848       14.3257459789
 Cu        17.1545643675       16.7687935057       16.3969154939
 Cu        17.3010102302       16.2393927820       12.1951396380
 Cu        15.5598674114       16.6844649423       18.3968760904
 Cu        13.1460044283       16.2462434375       17.6655086550
 Cu        15.7867385468       15.7029062592       10.2420522027
 Cu        14.3118746556       16.2840698338       14.2710358430
 Cu        13.3584560992       15.4515806186       10.9043465582
 Cu        10.7762929633       15.4060318551       14.2482577242
 Cu        10.8386703980       15.6981983161       16.7742510710
 Cu        11.0035311238       15.0965776448       11.7523715574
 Cu        16.3397142268       17.7387376865       14.0584992011
 Cu        14.7381321252       17.8302954404       16.2888757517
 Cu        14.8645789707       17.2513173138       12.0383008056
 Cu        12.2468959410       17.2147257204       15.3425535766
 Cu        12.3921080812       16.9425070434       12.8225544753
 Zr        13.9302124820       18.9412228504       14.1262072185
  O        14.0006479783       20.6611465369       15.2059295155
  C        14.3816378429       19.8879943892       16.2557713569
  O        14.6011749864       20.2705415984       17.3909135130
      58
 i =       98, E =     -2681.7888000439
 Zr        15.5398800883        8.9544730208       15.1976022258
 Cu        17.0256951686       10.8470202123       16.3275900937
 Cu        17.1171728235       10.5438062675       13.7534836910
 Cu        14.5706059408       10.5316481660       17.1012559917
 Cu        14.6879334455       10.0311243156       12.9110573546
 Cu        13.1108045492       10.0294634297       15.0099077887
 Cu        18.4184552183       12.6815568786       17.3692431722
 Cu        18.5651729357       12.0516888039       12.3568383741
 Cu        18.6035354367       12.3252375604       14.8801558268
 Cu        16.0615067662       12.3333500447       18.2242128490
 Cu        15.1047500607       11.5189974775       14.8537431917
 Cu        13.6318814141       12.0634715247       18.8758691259
 Cu        16.2610188129       11.5047585764       11.4709163502
 Cu        13.8764617615       11.0701094956       10.7579417467
 Cu        12.1597716815       11.4978191615       16.9039729232
 Cu        12.2876975083       10.9958055379       12.7202502161
 Cu        10.8309844485       11.0601850243       14.7846084701
 Cu        16.5708087932       13.2939157106       15.9803818692
 Cu        16.6507254750       12.9780168583       13.4479258590
 Cu        14.1702347589       12.9828526892       16.7347173811
 Cu        14.2866729126       12.4816635436       12.6388438018
 Cu        12.7522395837       12.4801318633       14.6764308542
 Cu        18.6177225319       14.7007749560       15.8800226346
 Cu        18.6899179836       14.3806702161       13.3156096097
 Cu        17.0353053949       14.7078275612       17.9575835896
 Cu        17.2413921408       13.8775318286       11.2078172623
 Cu        14.5930748886       14.3910431809       18.7242292341
 Cu        14.7083985400       13.9020549447       14.5618100009
 Cu        14.8280848103       13.3762737614       10.3841811866
 Cu        12.1665023034       13.8681066398       17.9072133752
 Cu        12.3762692687       13.0631506585       11.1586571892
 Cu        10.7384848285       13.3625379030       15.8167417407
 Cu        10.8134415092       13.0525538659       13.2299549506
 Cu        16.6729272500       15.3127780254       14.4421076044
 Cu        15.1205791504       15.3638282425       16.4706164359
 Cu        15.2535352602       14.8113955535       12.3824731995
 Cu        12.7598055761       14.8142204750       15.6755195688
 Cu        12.8362793504       14.5023035004       13.1456564085
 Cu        18.6126433685       16.6941690087       14.3267053192
 Cu        17.1529786633       16.7683863685       16.3978842640
 Cu        17.3001217031       16.2398123570       12.1954911466
 Cu        15.5587473773       16.6835122459       18.3969609884
 Cu        13.1442834657       16.2443926731       17.6668762500
 Cu        15.7864583057       15.7033217237       10.2424041611
 Cu        14.3110047385       16.2832587138       14.2711028352
 Cu        13.3579015959       15.4504192842       10.9045347447
 Cu        10.7761540849       15.4034020263       14.2484386527
 Cu        10.8379399466       15.6962845493       16.7742234260
 Cu        11.0028611375       15.0952820979       11.7526242665
 Cu        16.3376510886       17.7385990839       14.0591812824
 Cu        14.7360091782       17.8293596503       16.2898493969
 Cu        14.8629256429       17.2512531943       12.0384661200
 Cu        12.2459721327       17.2127176568       15.3431176694
 Cu        12.3907240331       16.9413307573       12.8228738364
 Zr        13.9283264742       18.9407841822       14.1272331966
  O        14.0004492495       20.6611883697       15.2060282214
  C        14.3807932058       19.8879420488       16.2559616146
  O        14.6013023206       20.2705342096       17.3908571762
      58
 i =       99, E =     -2681.7888007857
 Zr        15.5430587110        8.9532292898       15.1964198018
 Cu        17.0269722606       10.8467312738       16.3271312085
 Cu        17.1196323454       10.5442440316       13.7533706158
 Cu        14.5718805676       10.5289346956       17.1000802907
 Cu        14.6910027087       10.0299616506       12.9101488456
 Cu        13.1130308123       10.0265390627       15.0085757616
 Cu        18.4184301219       12.6817705986       17.3693405473
 Cu        18.5666109553       12.0533605069       12.3572271501
 Cu        18.6045011947       12.3266091200       14.8803855088
 Cu        16.0616893190       12.3309618358       18.2237454065
 Cu        15.1060215136       11.5176219978       14.8530584724
 Cu        13.6319013909       12.0588884304       18.8745545124
 Cu        16.2633996771       11.5050065945       11.4707840659
 Cu        13.8795008997       11.0685993361       10.7572105404
 Cu        12.1604600718       11.4938249838       16.9023232320
 Cu        12.2899180157       10.9921732642       12.7190511511
 Cu        10.8325778545       11.0553956913       14.7830184588
 Cu        16.5706398052       13.2935349941       15.9804031899
 Cu        16.6512438056       12.9781672671       13.4479749683
 Cu        14.1702296025       12.9802047628       16.7341505376
 Cu        14.2876855490       12.4802107595       12.6383243529
 Cu        12.7529473693       12.4770118430       14.6752841930
 Cu        18.6167311800       14.7018151710       15.8809226239
 Cu        18.6895539320       14.3823130067       13.3162345222
 Cu        17.0337075419       14.7067382019       17.9580604542
 Cu        17.2417613762       13.8787596418       11.2082802137
 Cu        14.5918881654       14.3874556882       18.7241888780
 Cu        14.7080493497       13.9005419005       14.5617122913
 Cu        14.8289013001       13.3758591736       10.3842429933
 Cu        12.1658746552       13.8635393913       17.9067528792
 Cu        12.3770429649       13.0604055336       11.1582389227
 Cu        10.7385858300       13.3582086797       15.8156864835
 Cu        10.8141712075       13.0480947236       13.2289459951
 Cu        16.6715558081       15.3126582925       14.4425637825
 Cu        15.1187806380       15.3623483695       16.4709362359
 Cu        15.2528151464       14.8110453601       12.3827256723
 Cu        12.7590147197       14.8111607032       15.6757404841
 Cu        12.8357138941       14.4999433218       13.1454555905
 Cu        18.6102233575       16.6955117665       14.3278741720
 Cu        17.1504326419       16.7680163088       16.3988647450
 Cu        17.2986181327       16.2405335662       12.1961598088
 Cu        15.5565583049       16.6815924926       18.3974861892
 Cu        13.1419358359       16.2409044180       17.6679002776
 Cu        15.7854224558       15.7037938370       10.2429729127
 Cu        14.3089078439       16.2818671987       14.2715751635
 Cu        13.3568204542       15.4485878292       10.9046885233
 Cu        10.7750388033       15.3989451458       14.2484233207
 Cu        10.8364099608       15.6917775764       16.7743122418
 Cu        11.0017666948       15.0920618731       11.7526086725
 Cu        16.3342085018       17.7381334963       14.0600064234
 Cu        14.7324047249       17.8278628233       16.2912907932
 Cu        14.8599575306       17.2506476210       12.0390029376
 Cu        12.2433028591       17.2095931760       15.3440677379
 Cu        12.3879701762       16.9386577044       12.8234380839
 Zr        13.9246872684       18.9395185473       14.1286827071
  O        14.0003897650       20.6608608202       15.2059601636
  C        14.3797177344       19.8875783694       16.2561551173
  O        14.6014212003       20.2703538097       17.3907277169
      58
 i =      100, E =     -2681.7888017441
 Zr        15.5437807293        8.9525130037       15.1957276717
 Cu        17.0271670585       10.8462268500       16.3267654189
 Cu        17.1208466008       10.5440476284       13.7536376760
 Cu        14.5724029811       10.5279543692       17.0994048696
 Cu        14.6915531302       10.0294631883       12.9097882565
 Cu        13.1134566073       10.0255602703       15.0082006630
 Cu        18.4180998035       12.6811331542       17.3693150209
 Cu        18.5672002182       12.0538722957       12.3578070891
 Cu        18.6047519267       12.3271110841       14.8806802272
 Cu        16.0617441755       12.3296292229       18.2235367503
 Cu        15.1065195233       11.5169087182       14.8527034566
 Cu        13.6318408143       12.0568703986       18.8734216945
 Cu        16.2643368335       11.5050231205       11.4712816784
 Cu        13.8803298291       11.0682282625       10.7571023668
 Cu        12.1609932336       11.4929551651       16.9014000922
 Cu        12.2895832657       10.9914485003       12.7185906374
 Cu        10.8327852400       11.0546149290       14.7832976645
 Cu        16.5705746467       13.2934753915       15.9805175508
 Cu        16.6514867594       12.9780209415       13.4483738904
 Cu        14.1703722338       12.9798148540       16.7341467652
 Cu        14.2878796588       12.4795901399       12.6381464296
 Cu        12.7532855951       12.4757699627       14.6744222162
 Cu        18.6161427274       14.7023781598       15.8818440175
 Cu        18.6893964695       14.3831650224       13.3167026332
 Cu        17.0330844192       14.7060442682       17.9585864019
 Cu        17.2420720659       13.8794919003       11.2091288416
 Cu        14.5920994299       14.3864465115       18.7246675246
 Cu        14.7080220989       13.8998370819       14.5617518019
 Cu        14.8294672996       13.3759130318       10.3846081526
 Cu        12.1663877506       13.8627971211       17.9074270995
 Cu        12.3773276746       13.0598693288       11.1581692919
 Cu        10.7390500251       13.3574956255       15.8158785929
 Cu        10.8139450817       13.0471390682       13.2289078822
 Cu        16.6710763745       15.3126376051       14.4427459349
 Cu        15.1181884675       15.3617233596       16.4712059003
 Cu        15.2525381667       14.8112146985       12.3829769162
 Cu        12.7591889495       14.8099252079       15.6764871450
 Cu        12.8355069653       14.4993231317       13.1457831421
 Cu        18.6089139418       16.6962975299       14.3286337128
 Cu        17.1492292802       16.7679754988       16.3992858308
 Cu        17.2982210819       16.2410611064       12.1964558618
 Cu        15.5565327211       16.6810795417       18.3975296082
 Cu        13.1415384790       16.2410682847       17.6685219725
 Cu        15.7850361655       15.7042941244       10.2434067823
 Cu        14.3084297988       16.2814224999       14.2716363990
 Cu        13.3563611954       15.4482648150       10.9049704783
 Cu        10.7749460117       15.3974310999       14.2490984385
 Cu        10.8363459670       15.6909775077       16.7747913998
 Cu        11.0010579916       15.0912038631       11.7531881202
 Cu        16.3322767797       17.7380346494       14.0606010574
 Cu        14.7307250084       17.8272966211       16.2920323358
 Cu        14.8592887715       17.2511081460       12.0390630742
 Cu        12.2427944242       17.2082092340       15.3448053089
 Cu        12.3870549149       16.9374638363       12.8233331690
 Zr        13.9228150648       18.9391965073       14.1293499524
  O        14.0004893839       20.6610216926       15.2059120748
  C        14.3792364793       19.8877773238       16.2560504804
  O        14.6017425612       20.2701542944       17.3905017626
      58
 i =      101, E =     -2681.7888026735
 Zr        15.5459557990        8.9515825625       15.1945982896
 Cu        17.0282385859       10.8457273530       16.3262766738
 Cu        17.1226701320       10.5445597988       13.7535205128
 Cu        14.5734474925       10.5259539221       17.0984952086
 Cu        14.6936786484       10.0286128337       12.9090767944
 Cu        13.1148949387       10.0237550223       15.0072533555
 Cu        18.4179012750       12.6809706519       17.3695529493
 Cu        18.5682233301       12.0554014606       12.3579519025
 Cu        18.6054386802       12.3283498341       14.8809798727
 Cu        16.0617636831       12.3280407342       18.2233897276
 Cu        15.1073074198       11.5158563175       14.8523306524
 Cu        13.6319346883       12.0537571605       18.8726045331
 Cu        16.2659055901       11.5053565486       11.4710882622
 Cu        13.8822812082       11.0672370041       10.7565995585
 Cu        12.1614817938       11.4903839517       16.9006544940
 Cu        12.2909945956       10.9891667042       12.7176456922
 Cu        10.8336490801       11.0519644217       14.7824036861
 Cu        16.5704154527       13.2929754947       15.9806592183
 Cu        16.6519629238       12.9781541888       13.4486202080
 Cu        14.1704225796       12.9778958459       16.7338744762
 Cu        14.2886668180       12.4785333276       12.6378935140
 Cu        12.7537607710       12.4736923091       14.6737471364
 Cu        18.6151027193       14.7029152982       15.8825930911
 Cu        18.6892660762       14.3845101862       13.3171339811
 Cu        17.0321317294       14.7053374800       17.9589981941
 Cu        17.2421197486       13.8805538663       11.2095264211
 Cu        14.5913370334       14.3840176595       18.7248137881
 Cu        14.7078711466       13.8988228543       14.5617895499
 Cu        14.8298851509       13.3757118231       10.3846190732
 Cu        12.1661912959       13.8599466046       17.9072802233
 Cu        12.3777870906       13.0581098864       11.1579835910
 Cu        10.7389228917       13.3546514671       15.8154022347
 Cu        10.8139795389       13.0444702930       13.2284128046
 Cu        16.6701950261       15.3125746372       14.4432020192
 Cu        15.1169806276       15.3606836826       16.4716399759
 Cu        15.2520048947       14.8108140325       12.3832843359
 Cu        12.7585793519       14.8075922633       15.6765809395
 Cu        12.8352195111       14.4976473853       13.1458231327
 Cu        18.6071060889       16.6972538186       14.3296205491
 Cu        17.1473904269       16.7678849434       16.4000226682
 Cu        17.2971991199       16.2418581773       12.1972178621
 Cu        15.5549488907       16.6793003932       18.3985487605
 Cu        13.1402878338       16.2388024188       17.6690482794
 Cu        15.7839852753       15.7046294076       10.2439330341
 Cu        14.3070217545       16.2803381613       14.2722795363
 Cu        13.3555462101       15.4472063741       10.9050967106
 Cu        10.7740231691       15.3944265926       14.2492236147
 Cu        10.8354594197       15.6877784829       16.7751145345
 Cu        11.0004921074       15.0889114546       11.7532343822
 Cu        16.3297452606       17.7377117183       14.0614330694
 Cu        14.7281386627       17.8264491430       16.2931394371
 Cu        14.8572112556       17.2506220044       12.0397582961
 Cu        12.2411759925       17.2059059248       15.3456758919
 Cu        12.3852570132       16.9351771851       12.8238822297
 Zr        13.9202276992       18.9380480792       14.1302648814
  O        14.0004392587       20.6605688222       15.2058324015
  C        14.3785774404       19.8874132903       16.2562559264
  O        14.6017321052       20.2699890756       17.3904852055
      58
 i =      102, E =     -2681.7888040402
 Zr        15.5482049126        8.9505129882       15.1928635643
 Cu        17.0295595977       10.8448169275       16.3254892743
 Cu        17.1248039584       10.5454437724       13.7533579956
 Cu        14.5746809000       10.5235235256       17.0972910414
 Cu        14.6956404951       10.0276766115       12.9081512343
 Cu        13.1162102230       10.0221592821       15.0061442901
 Cu        18.4175946647       12.6804057078       17.3700712635
 Cu        18.5693342315       12.0576622962       12.3580701189
 Cu        18.6062700985       12.3301507176       14.8815020735
 Cu        16.0617282357       12.3260138157       18.2233567270
 Cu        15.1080509587       11.5146589870       14.8519639432
 Cu        13.6322597871       12.0502645919       18.8718887260
 Cu        16.2674926716       11.5059163091       11.4708993487
 Cu        13.8840438660       11.0663719322       10.7560583138
 Cu        12.1621125553       11.4878263506       16.9003783213
 Cu        12.2920912765       10.9872794645       12.7166531632
 Cu        10.8341486602       11.0500736193       14.7819238720
 Cu        16.5701910231       13.2921013116       15.9810028103
 Cu        16.6525454443       12.9784522273       13.4491189387
 Cu        14.1706266256       12.9757275278       16.7337813064
 Cu        14.2895348528       12.4774215809       12.6378162898
 Cu        12.7542244792       12.4715561842       14.6732776727
 Cu        18.6135227501       14.7033031770       15.8837225161
 Cu        18.6892390122       14.3863252773       13.3178438222
 Cu        17.0312881668       14.7044082778       17.9596372159
 Cu        17.2419888432       13.8820711031       11.2101800199
 Cu        14.5907484672       14.3813848153       18.7253137279
 Cu        14.7077596214       13.8977910910       14.5620186848
 Cu        14.8302241513       13.3756477559       10.3847985056
 Cu        12.1664276579       13.8572721934       17.9076218523
 Cu        12.3781989717       13.0564917989       11.1580122401
 Cu        10.7388106022       13.3518303572       15.8155805781
 Cu        10.8134258911       13.0422981201       13.2283153249
 Cu        16.6692123260       15.3125347238       14.4440535847
 Cu        15.1157166242       15.3595397343       16.4725121498
 Cu        15.2513640520       14.8103127888       12.3838856874
 Cu        12.7579834961       14.8047989145       15.6769327087
 Cu        12.8349941057       14.4958269176       13.1462048335
 Cu        18.6048253566       16.6983400978       14.3312785444
 Cu        17.1451818148       16.7679428809       16.4012373563
 Cu        17.2960424456       16.2431576472       12.1986687899
 Cu        15.5531621805       16.6768140921       18.4005897945
 Cu        13.1393779005       16.2368245597       17.6696714998
 Cu        15.7825300345       15.7050726514       10.2448352649
 Cu        14.3055664275       16.2789675140       14.2733781596
 Cu        13.3545678503       15.4462905760       10.9053917918
 Cu        10.7730726517       15.3913322134       14.2498662535
 Cu        10.8348060447       15.6843075464       16.7759533913
 Cu        11.0000413469       15.0863777645       11.7535795507
 Cu        16.3267069826       17.7374822091       14.0629845454
 Cu        14.7253152776       17.8257168291       16.2943548078
 Cu        14.8548573880       17.2501442308       12.0410567079
 Cu        12.2399909082       17.2031520537       15.3470202573
 Cu        12.3834660420       16.9322751106       12.8247854631
 Zr        13.9172949163       18.9365460347       14.1312004782
  O        14.0003196202       20.6598822135       15.2057070700
  C        14.3777652365       19.8869307199       16.2565635025
  O        14.6016575394       20.2697530925       17.3905198194
      58
 i =      103, E =     -2681.7888048148
 Zr        15.5497344678        8.9499317012       15.1917150587
 Cu        17.0303950566       10.8444111273       16.3249491894
 Cu        17.1261928912       10.5461027976       13.7531964624
 Cu        14.5753698032       10.5218510767       17.0964960940
 Cu        14.6966888061       10.0271334186       12.9075407676
 Cu        13.1170938399       10.0210917789       15.0054166278
 Cu        18.4176774250       12.6802410187       17.3703648420
 Cu        18.5700413415       12.0592508806       12.3581758050
 Cu        18.6069464487       12.3314102242       14.8817077932
 Cu        16.0618580979       12.3243001111       18.2231915993
 Cu        15.1086155909       11.5139939202       14.8516181714
 Cu        13.6325412701       12.0477038330       18.8715267739
 Cu        16.2685697835       11.5062430706       11.4708475262
 Cu        13.8851512167       11.0658323264       10.7557109385
 Cu        12.1625394968       11.4859921472       16.9001113871
 Cu        12.2927249197       10.9860749500       12.7162779637
 Cu        10.8344754264       11.0484881577       14.7816814654
 Cu        16.5700863595       13.2915569434       15.9812174893
 Cu        16.6528044265       12.9787921814       13.4492446916
 Cu        14.1708061457       12.9742357333       16.7337536250
 Cu        14.2900068434       12.4767778111       12.6377906576
 Cu        12.7544732661       12.4701179327       14.6731374174
 Cu        18.6126457901       14.7036866036       15.8845327514
 Cu        18.6891048451       14.3875792489       13.3184635320
 Cu        17.0307047509       14.7035584597       17.9601336075
 Cu        17.2420002621       13.8830794279       11.2105235429
 Cu        14.5903722769       14.3793859874       18.7257532743
 Cu        14.7075865960       13.8970879101       14.5622262591
 Cu        14.8304802106       13.3755793738       10.3850539963
 Cu        12.1664729159       13.8552068562       17.9079642047
 Cu        12.3784839923       13.0553719977       11.1580919282
 Cu        10.7389332587       13.3499282692       15.8158516237
 Cu        10.8133088033       13.0407466446       13.2283066882
 Cu        16.6684107930       15.3124811360       14.4447869913
 Cu        15.1148737745       15.3587234627       16.4732452720
 Cu        15.2509238294       14.8101094450       12.3843276499
 Cu        12.7576789175       14.8029980078       15.6774693887
 Cu        12.8347755709       14.4946182344       13.1464614870
 Cu        18.6032317408       16.6990688692       14.3326872966
 Cu        17.1436171374       16.7678376412       16.4024443898
 Cu        17.2951229502       16.2439402122       12.1997695082
 Cu        15.5518769720       16.6752124829       18.4019763670
 Cu        13.1384804345       16.2354238824       17.6705214664
 Cu        15.7817466457       15.7054237804       10.2455276674
 Cu        14.3046069863       16.2780017355       14.2741467630
 Cu        13.3539426809       15.4455134202       10.9056840873
 Cu        10.7727061629       15.3892626071       14.2504213774
 Cu        10.8343061949       15.6820943276       16.7765011387
 Cu        10.9996755075       15.0848032452       11.7539188573
 Cu        16.3247204256       17.7374021645       14.0643500213
 Cu        14.7235331651       17.8250932949       16.2952474527
 Cu        14.8531956901       17.2498872501       12.0420358945
 Cu        12.2393580402       17.2012567641       15.3480009428
 Cu        12.3823262580       16.9306573915       12.8254859334
 Zr        13.9154319435       18.9356932779       14.1319987416
  O        14.0001605727       20.6595166790       15.2057080537
  C        14.3770689813       19.8866587072       16.2568684655
  O        14.6016075585       20.2697024158       17.3905864380
      58
 i =      104, E =     -2681.7888069490
 Zr        15.5529919597        8.9486430569       15.1887337292
 Cu        17.0322793392       10.8433328851       16.3235806642
 Cu        17.1293969418       10.5477497630       13.7527426996
 Cu        14.5768537363       10.5178062456       17.0947061837
 Cu        14.6984701458       10.0260199506       12.9059842749
 Cu        13.1188244162       10.0187343519       15.0036236472
 Cu        18.4181694389       12.6797173309       17.3711261571
 Cu        18.5715994094       12.0633705593       12.3584570219
 Cu        18.6086917848       12.3345804378       14.8821300874
 Cu        16.0623841762       12.3198212720       18.2228207823
 Cu        15.1098873161       11.5124640217       14.8508081425
 Cu        13.6335206722       12.0419833736       18.8712581730
 Cu        16.2709062178       11.5069929891       11.4709080235
 Cu        13.8871260019       11.0648888754       10.7549955453
 Cu        12.1636982104       11.4815826829       16.9000009011
 Cu        12.2937237718       10.9841851104       12.7158565299
 Cu        10.8349257977       11.0452934267       14.7816367517
 Cu        16.5698876751       13.2899872361       15.9819043921
 Cu        16.6532572535       12.9797303468       13.4495128889
 Cu        14.1713632087       12.9707068732       16.7340916363
 Cu        14.2909992423       12.4754287479       12.6379852455
 Cu        12.7549141936       12.4668830953       14.6734399515
 Cu        18.6105482822       14.7046010647       15.8868287251
 Cu        18.6885995034       14.3907871764       13.3203238326
 Cu        17.0295390877       14.7012023802       17.9615338083
 Cu        17.2419407637       13.8855301118       11.2113832663
 Cu        14.5897275600       14.3748072747       18.7273262375
 Cu        14.7070890723       13.8953528271       14.5630792529
 Cu        14.8309986547       13.3754768493       10.3859805903
 Cu        12.1667669671       13.8504736984       17.9095157339
 Cu        12.3790936985       13.0530536647       11.1585170205
 Cu        10.7393852695       13.3453017945       15.8175907177
 Cu        10.8129868696       13.0376881883       13.2289213224
 Cu        16.6662814402       15.3122496233       14.4470734626
 Cu        15.1130609327       15.3565813373       16.4755539902
 Cu        15.2498024017       14.8097137435       12.3857291814
 Cu        12.7570228107       14.7986527711       15.6793618755
 Cu        12.8342295237       14.4917604656       13.1473986818
 Cu        18.5991442801       16.7008193197       14.3369505277
 Cu        17.1396284483       16.7675269985       16.4061936020
 Cu        17.2926615828       16.2458374013       12.2030717927
 Cu        15.5486845728       16.6712252668       18.4060186115
 Cu        13.1363974540       16.2324066459       17.6729768879
 Cu        15.7799095463       15.7064051619       10.2476178955
 Cu        14.3022851568       16.2755522431       14.2765175070
 Cu        13.3524715557       15.4436916194       10.9067193045
 Cu        10.7721842973       15.3847242976       14.2523549947
 Cu        10.8331855784       15.6768514912       16.7782673916
 Cu        10.9987465932       15.0810879705       11.7551021197
 Cu        16.3199842334       17.7373206095       14.0687634244
 Cu        14.7195275053       17.8234022266       16.2976029639
 Cu        14.8492824337       17.2493813863       12.0450477149
 Cu        12.2381244213       17.1967300048       15.3508150332
 Cu        12.3799043683       16.9271183187       12.8274111189
 Zr        13.9109460007       18.9336887118       14.1342500222
  O        13.9997417659       20.6586439844       15.2058296631
  C        14.3753049560       19.8859811018       16.2578023011
  O        14.6014891956       20.2696492111       17.3908751725
      58
 i =      105, E =     -2681.7888089134
 Zr        15.5562778786        8.9473505717       15.1860482934
 Cu        17.0340795415       10.8424380834       16.3223824929
 Cu        17.1325351804       10.5491365604       13.7522578198
 Cu        14.5783381156       10.5139305115       17.0931980489
 Cu        14.7004556674       10.0249913072       12.9045078755
 Cu        13.1207035999       10.0159432062       15.0019036894
 Cu        18.4187906303       12.6793712485       17.3716589724
 Cu        18.5731448172       12.0672135466       12.3587287950
 Cu        18.6103979368       12.3375046210       14.8823457442
 Cu        16.0630930077       12.3156070863       18.2224554215
 Cu        15.1112679688       11.5108763000       14.8500514192
 Cu        13.6344799210       12.0366275945       18.8711876263
 Cu        16.2732545680       11.5076509813       11.4709793982
 Cu        13.8891389648       11.0638909293       10.7543587472
 Cu        12.1648889621       11.4767353715       16.8997777445
 Cu        12.2949163696       10.9821062462       12.7155236327
 Cu        10.8356992024       11.0413193053       14.7814103911
 Cu        16.5697510658       13.2885526697       15.9825888500
 Cu        16.6536328894       12.9805295850       13.4497005507
 Cu        14.1718028761       12.9671873053       16.7345805133
 Cu        14.2919543962       12.4740364270       12.6381434488
 Cu        12.7553494983       12.4634538771       14.6738373400
 Cu        18.6087448620       14.7057289564       15.8891647998
 Cu        18.6878656834       14.3939290349       13.3221541011
 Cu        17.0282221573       14.6988754223       17.9630145366
 Cu        17.2419040756       13.8877272009       11.2121216455
 Cu        14.5888321984       14.3703187876       18.7290227242
 Cu        14.7065038785       13.8933963410       14.5640495627
 Cu        14.8315296401       13.3753081428       10.3868456846
 Cu        12.1666837805       13.8452644665       17.9110520405
 Cu        12.3797355511       13.0506161178       11.1588478725
 Cu        10.7397182065       13.3400359162       15.8192937299
 Cu        10.8130913577       13.0341399395       13.2295220656
 Cu        16.6640404756       15.3119220589       14.4494141328
 Cu        15.1111718309       15.3542035212       16.4779182237
 Cu        15.2486531188       14.8093223024       12.3871678775
 Cu        12.7561849226       14.7942784492       15.6813248972
 Cu        12.8335692952       14.4888000779       13.1483184781
 Cu        18.5950551064       16.7026418127       14.3413060459
 Cu        17.1355071142       16.7670594787       16.4101480583
 Cu        17.2900524436       16.2474451380       12.2062759553
 Cu        15.5452372045       16.6674328467       18.4098117888
 Cu        13.1338168121       16.2288579105       17.6755923909
 Cu        15.7782101530       15.7074658670       10.2497276761
 Cu        14.2998036402       16.2731269700       14.2790157786
 Cu        13.3510432114       15.4417144282       10.9078514474
 Cu        10.7715904035       15.3800354199       14.2541705082
 Cu        10.8317226548       15.6712939034       16.7799260454
 Cu        10.9976079594       15.0772774639       11.7562381021
 Cu        16.3153819965       17.7370529735       14.0734017015
 Cu        14.7153747812       17.8213662186       16.3003246691
 Cu        14.8455173210       17.2487872449       12.0480804602
 Cu        12.2362362192       17.1923044133       15.3535953031
 Cu        12.3774043842       16.9238669014       12.8292179953
 Zr        13.9063094115       18.9317090257       14.1368944491
  O        13.9994179996       20.6578459632       15.2060922490
  C        14.3736858681       19.8852775924       16.2587898016
  O        14.6015091314       20.2696612383       17.3912245123
      58
 i =      106, E =     -2681.7888116882
 Zr        15.5580869307        8.9465147900       15.1834824995
 Cu        17.0354468253       10.8414293804       16.3213066757
 Cu        17.1347372692       10.5503966877       13.7515477325
 Cu        14.5793608323       10.5109141316       17.0925519195
 Cu        14.7006626170       10.0247134861       12.9031979230
 Cu        13.1215074061       10.0138002104       15.0005446141
 Cu        18.4199883747       12.6787440681       17.3721132194
 Cu        18.5740077491       12.0711975208       12.3587809528
 Cu        18.6119296410       12.3402305273       14.8821910628
 Cu        16.0643195737       12.3120230978       18.2224794240
 Cu        15.1122196570       11.5096317557       14.8497521190
 Cu        13.6361400641       12.0339916461       18.8731248870
 Cu        16.2743709245       11.5082750395       11.4713104353
 Cu        13.8890094926       11.0639739461       10.7542669426
 Cu        12.1662261732       11.4723301649       16.9013377621
 Cu        12.2948469527       10.9826273547       12.7163840142
 Cu        10.8357548722       11.0390345003       14.7824505349
 Cu        16.5697857905       13.2867261734       15.9837256910
 Cu        16.6535277987       12.9813974255       13.4499603488
 Cu        14.1723067431       12.9643871699       16.7363248409
 Cu        14.2923693980       12.4733301071       12.6390122875
 Cu        12.7552938328       12.4610015425       14.6760628220
 Cu        18.6072870565       14.7066385352       15.8920603008
 Cu        18.6866718306       14.3971588860       13.3245742811
 Cu        17.0276202440       14.6964013251       17.9650153231
 Cu        17.2413875287       13.8895276143       11.2127953484
 Cu        14.5882553721       14.3673949229       18.7320386780
 Cu        14.7057713610       13.8915243783       14.5660107722
 Cu        14.8315259584       13.3754093911       10.3881813917
 Cu        12.1667149779       13.8411384632       17.9141701752
 Cu        12.3799930971       13.0495776548       11.1597403100
 Cu        10.7399544678       13.3347069653       15.8234608588
 Cu        10.8131168233       13.0325978220       13.2318178796
 Cu        16.6616941967       15.3113693849       14.4529853579
 Cu        15.1099195795       15.3515219050       16.4815335670
 Cu        15.2474761618       14.8090300577       12.3894551638
 Cu        12.7552513877       14.7904756144       15.6843136756
 Cu        12.8329173171       14.4863809441       13.1501229903
 Cu        18.5911447810       16.7042272182       14.3473897356
 Cu        17.1313394023       16.7664833165       16.4159348237
 Cu        17.2871398198       16.2488343946       12.2108923699
 Cu        15.5413608985       16.6635702709       18.4152025758
 Cu        13.1314627215       16.2260765752       17.6788135371
 Cu        15.7767469029       15.7087730443       10.2527547995
 Cu        14.2976753460       16.2707481727       14.2829047440
 Cu        13.3499396447       15.4403213149       10.9097954929
 Cu        10.7715993579       15.3771895047       14.2571503893
 Cu        10.8304299840       15.6662334559       16.7825598526
 Cu        10.9965267348       15.0740694571       11.7581181403
 Cu        16.3121139396       17.7368160721       14.0804948678
 Cu        14.7124400853       17.8190523093       16.3036757597
 Cu        14.8429096509       17.2482704544       12.0527312452
 Cu        12.2347721219       17.1888567223       15.3570373292
 Cu        12.3761642848       16.9219190822       12.8314270519
 Zr        13.9024840567       18.9298528441       14.1402818614
  O        13.9991176266       20.6569152833       15.2068061739
  C        14.3724248763       19.8843526829       16.2603014833
  O        14.6015064479       20.2698138324       17.3920633889
      58
 i =      107, E =     -2681.7888153859
 Zr        15.5607233589        8.9454782673       15.1826845876
 Cu        17.0365507362       10.8412577067       16.3210206365
 Cu        17.1367502645       10.5506336784       13.7512816713
 Cu        14.5805986388       10.5088438610       17.0920662920
 Cu        14.7031902758       10.0240010827       12.9025517130
 Cu        13.1235079508       10.0107599082       14.9996991406
 Cu        18.4202493599       12.6788831154       17.3719416708
 Cu        18.5751105280       12.0728109164       12.3590224045
 Cu        18.6126633701       12.3413866436       14.8820711470
 Cu        16.0649345034       12.3103873402       18.2223736675
 Cu        15.1134171485       11.5083516250       14.8494523366
 Cu        13.6364521000       12.0306602929       18.8728854156
 Cu        16.2761363401       11.5086162979       11.4712540761
 Cu        13.8911010294       11.0629634947       10.7539375568
 Cu        12.1670619190       11.4681571195       16.9005155716
 Cu        12.2964514762       10.9797909647       12.7158062171
 Cu        10.8373370208       11.0341359025       14.7815701718
 Cu        16.5697270928       13.2863987615       15.9840936839
 Cu        16.6537668646       12.9814678963       13.4501659085
 Cu        14.1721787896       12.9621475458       16.7366885348
 Cu        14.2929986922       12.4721269191       12.6388345298
 Cu        12.7557790566       12.4580111249       14.6758706545
 Cu        18.6066356487       14.7077862917       15.8934420635
 Cu        18.6858885346       14.3989354749       13.3255215981
 Cu        17.0260859772       14.6953233595       17.9661190102
 Cu        17.2414741027       13.8904938680       11.2133161188
 Cu        14.5867950015       14.3645205125       18.7330797022
 Cu        14.7052493514       13.8898253826       14.5666189946
 Cu        14.8320244908       13.3752418985       10.3883992298
 Cu        12.1657560766       13.8365003482       17.9145840188
 Cu        12.3805257291       13.0474987774       11.1595943832
 Cu        10.7398293133       13.3298087052       15.8234104904
 Cu        10.8139780496       13.0285495047       13.2316553892
 Cu        16.6602268600       15.3111035836       14.4542948291
 Cu        15.1081150489       15.3496162779       16.4827195782
 Cu        15.2466941219       14.8087093096       12.3903208741
 Cu        12.7541744009       14.7875522337       15.6852001124
 Cu        12.8322091961       14.4842135414       13.1505658367
 Cu        18.5888621594       16.7056251125       14.3496037615
 Cu        17.1286032956       16.7659160234       16.4181228379
 Cu        17.2853986958       16.2493905284       12.2123598535
 Cu        15.5384627029       16.6616691720       18.4163539685
 Cu        13.1285244764       16.2224440502       17.6805025769
 Cu        15.7758845937       15.7095449661       10.2539556371
 Cu        14.2957038508       16.2693300168       14.2843064214
 Cu        13.3490204228       15.4388123840       10.9105791494
 Cu        10.7705980586       15.3732857440       14.2577507367
 Cu        10.8286291414       15.6615775788       16.7832049185
 Cu        10.9952746309       15.0712213218       11.7586453468
 Cu        16.3093481589       17.7360509993       14.0828217825
 Cu        14.7090143553       17.8171759192       16.3060049381
 Cu        14.8408019032       17.2476115032       12.0542563044
 Cu        12.2317131006       17.1861037311       15.3583515045
 Cu        12.3739280862       16.9198404018       12.8322226035
 Zr        13.8991161961       18.9284638755       14.1425357681
  O        13.9991589634       20.6565313301       15.2071496026
  C        14.3717655525       19.8837960290       16.2608192661
  O        14.6017572337       20.2697600838       17.3922623376
      58
 i =      108, E =     -2681.7888193659
 Zr        15.5600596482        8.9455376372       15.1852735434
 Cu        17.0358138580       10.8419527738       16.3224192243
 Cu        17.1353041517       10.5489637821       13.7512720491
 Cu        14.5807862017       10.5111777011       17.0941840362
 Cu        14.7040215708       10.0246860670       12.9036473355
 Cu        13.1240211382       10.0090385276       15.0010260115
 Cu        18.4200854886       12.6791480258       17.3709637863
 Cu        18.5743815275       12.0706089826       12.3590030398
 Cu        18.6111897772       12.3391493323       14.8814757899
 Cu        16.0654471675       12.3142793512       18.2234581669
 Cu        15.1133397423       11.5082905231       14.8506165644
 Cu        13.6362662735       12.0340568792       18.8744127654
 Cu        16.2749679175       11.5086108465       11.4712196943
 Cu        13.8903835774       11.0635562384       10.7547329177
 Cu        12.1672848671       11.4670913398       16.9010836522
 Cu        12.2967758965       10.9792923084       12.7160079594
 Cu        10.8388511582       11.0317226837       14.7814093140
 Cu        16.5698372579       13.2875265243       15.9844899615
 Cu        16.6532957969       12.9804418533       13.4508384934
 Cu        14.1712369524       12.9634553260       16.7380557674
 Cu        14.2922945675       12.4723468628       12.6390134524
 Cu        12.7557790053       12.4576384962       14.6765386317
 Cu        18.6080557989       14.7080033852       15.8935021784
 Cu        18.6850658769       14.3980253270       13.3255373274
 Cu        17.0253623249       14.6966477781       17.9669397351
 Cu        17.2411696532       13.8891423197       11.2137709810
 Cu        14.5852201126       14.3668354981       18.7341464806
 Cu        14.7048836025       13.8893852211       14.5674838491
 Cu        14.8317047084       13.3756655178       10.3880969688
 Cu        12.1641015997       13.8358179842       17.9147055751
 Cu        12.3802104683       13.0483871894       11.1594501471
 Cu        10.7388737203       13.3272376353       15.8229716940
 Cu        10.8151063456       13.0274084414       13.2321734840
 Cu        16.6605927099       15.3109182119       14.4549213638
 Cu        15.1074909310       15.3490042271       16.4828978649
 Cu        15.2466970064       14.8086477587       12.3910537024
 Cu        12.7528711241       14.7883878059       15.6849596945
 Cu        12.8316649374       14.4846928470       13.1512963887
 Cu        18.5906514099       16.7055794285       14.3492907764
 Cu        17.1292222265       16.7653643459       16.4183216864
 Cu        17.2855167948       16.2482509937       12.2123275374
 Cu        15.5368648909       16.6632770826       18.4146657438
 Cu        13.1264567985       16.2210342222       17.6805063257
 Cu        15.7766541839       15.7098369989       10.2544481601
 Cu        14.2956659102       16.2700208844       14.2849123506
 Cu        13.3494195850       15.4395351872       10.9115286675
 Cu        10.7695953409       15.3738778508       14.2576709267
 Cu        10.8271261100       15.6601628066       16.7833271442
 Cu        10.9943512951       15.0713581373       11.7590627124
 Cu        16.3116682663       17.7348521974       14.0828275563
 Cu        14.7092281834       17.8163530405       16.3073980961
 Cu        14.8433073087       17.2472088299       12.0546357106
 Cu        12.2284880058       17.1877168982       15.3576769047
 Cu        12.3740882368       16.9210846374       12.8318494323
 Zr        13.8998686616       18.9284196036       14.1437790930
  O        13.9997191576       20.6566378886       15.2078133310
  C        14.3731587133       19.8834142363       16.2608565445
  O        14.6021229342       20.2696401792       17.3925973412
      58
 i =      109, E =     -2681.7888233045
 Zr        15.5666050382        8.9426680748       15.1816536832
 Cu        17.0390970983       10.8402553849       16.3209466279
 Cu        17.1408086179       10.5506996245       13.7504975257
 Cu        14.5843427524       10.5048699247       17.0922418684
 Cu        14.7092847517       10.0227491304       12.9014766179
 Cu        13.1284025755       10.0023998123       14.9986874538
 Cu        18.4203211784       12.6781067245       17.3718143936
 Cu        18.5769787208       12.0766602404       12.3596558127
 Cu        18.6132196376       12.3434918100       14.8822276031
 Cu        16.0665629963       12.3089888988       18.2238052287
 Cu        15.1158946485       11.5048626847       14.8500289030
 Cu        13.6377003947       12.0251055105       18.8743471547
 Cu        16.2788668488       11.5104559064       11.4711334318
 Cu        13.8943621571       11.0619574590       10.7538055589
 Cu        12.1698071905       11.4572925710       16.9008076780
 Cu        12.2994529563       10.9741065227       12.7145396717
 Cu        10.8414031427       11.0228868622       14.7806516970
 Cu        16.5693809169       13.2855654780       15.9861986095
 Cu        16.6540986403       12.9811682027       13.4523825656
 Cu        14.1714312210       12.9574507031       16.7395335758
 Cu        14.2937938919       12.4695285008       12.6393241823
 Cu        12.7569413052       12.4502413614       14.6767512989
 Cu        18.6047864960       14.7098925644       15.8981421340
 Cu        18.6837531038       14.4034382915       13.3289511106
 Cu        17.0219459833       14.6933443904       17.9704244211
 Cu        17.2409270871       13.8932035421       11.2163014437
 Cu        14.5823651907       14.3596249817       18.7377422797
 Cu        14.7037125542       13.8854780700       14.5696042472
 Cu        14.8326096744       13.3759268648       10.3894527779
 Cu        12.1632567353       13.8257115143       17.9173777598
 Cu        12.3812231885       13.0443011930       11.1599599709
 Cu        10.7387886706       13.3154999116       15.8251244824
 Cu        10.8151024481       13.0197737017       13.2333067649
 Cu        16.6569334312       15.3103068973       14.4594519880
 Cu        15.1029390796       15.3444282138       16.4871159631
 Cu        15.2444733131       14.8076531709       12.3942423114
 Cu        12.7503589923       14.7799139548       15.6880227017
 Cu        12.8300841969       14.4793163364       13.1537796706
 Cu        18.5838873483       16.7089459037       14.3569985306
 Cu        17.1217845876       16.7642633923       16.4252582440
 Cu        17.2811330555       16.2512956037       12.2183435589
 Cu        15.5292962153       16.6566233346       18.4209882758
 Cu        13.1205974263       16.2138445709       17.6848378895
 Cu        15.7732846717       15.7120327442       10.2587215787
 Cu        14.2910961720       16.2657718486       14.2896603972
 Cu        13.3466128578       15.4366394397       10.9142661042
 Cu        10.7671462715       15.3646752835       14.2611432254
 Cu        10.8235978516       15.6481346504       16.7865426785
 Cu        10.9916100664       15.0637645666       11.7616821721
 Cu        16.3036937365       17.7335440086       14.0906905982
 Cu        14.7009308864       17.8125590079       16.3131721564
 Cu        14.8375912279       17.2458513239       12.0602306794
 Cu        12.2231029296       17.1796688975       15.3623727522
 Cu        12.3690004817       16.9143350825       12.8351620122
 Zr        13.8911976219       18.9242033159       14.1488178205
  O        13.9994069752       20.6549766210       15.2082876706
  C        14.3709830386       19.8819387521       16.2623658428
  O        14.6023314881       20.2693805610       17.3931571760
      58
 i =      110, E =     -2681.7888264475
 Zr        15.5659883930        8.9432214692       15.1825931944
 Cu        17.0386968495       10.8406544811       16.3213563102
 Cu        17.1396639584       10.5506992023       13.7506908184
 Cu        14.5840973101       10.5060565272       17.0925999841
 Cu        14.7086547068       10.0229793308       12.9021258139
 Cu        13.1281051671       10.0035737557       14.9995571870
 Cu        18.4198099123       12.6782619597       17.3722621800
 Cu        18.5762968282       12.0756370993       12.3596263499
 Cu        18.6124582151       12.3426547714       14.8826609618
 Cu        16.0658413165       12.3103403788       18.2242063342
 Cu        15.1152625113       11.5056420744       14.8504227797
 Cu        13.6370963568       12.0261273611       18.8740908880
 Cu        16.2778854279       11.5106747921       11.4709846989
 Cu        13.8937368987       11.0624174162       10.7539467778
 Cu        12.1693386720       11.4594127327       16.9008894405
 Cu        12.2991851006       10.9744461381       12.7145582273
 Cu        10.8410013860       11.0246009004       14.7806960838
 Cu        16.5692128871       13.2861722128       15.9861401326
 Cu        16.6539970891       12.9811923878       13.4526052892
 Cu        14.1713074397       12.9586405823       16.7391245575
 Cu        14.2933773731       12.4701634533       12.6394104205
 Cu        12.7568583291       12.4514069005       14.6763751901
 Cu        18.6050470707       14.7090059582       15.8971758740
 Cu        18.6844455929       14.4022250909       13.3284691801
 Cu        17.0222995581       14.6943614936       17.9699921668
 Cu        17.2409659974       13.8930352323       11.2164514869
 Cu        14.5826392414       14.3608520093       18.7369486443
 Cu        14.7039308561       13.8866325665       14.5691301872
 Cu        14.8322984342       13.3762410148       10.3893478296
 Cu        12.1633906528       13.8278775098       17.9164212255
 Cu        12.3808730190       13.0452675699       11.1600739440
 Cu        10.7386581928       13.3181056894       15.8238725232
 Cu        10.8145160528       13.0212137983       13.2329326428
 Cu        16.6579661282       15.3106278810       14.4586805651
 Cu        15.1034012228       15.3458056086       16.4861875549
 Cu        15.2448838771       14.8078188056       12.3938259431
 Cu        12.7506196094       14.7813962564       15.6870668793
 Cu        12.8303561042       14.4805408668       13.1535934137
 Cu        18.5855646257       16.7079904180       14.3553206642
 Cu        17.1236323111       16.7644578043       16.4235798264
 Cu        17.2824172199       16.2512398157       12.2174268563
 Cu        15.5303965741       16.6578261429       18.4200031547
 Cu        13.1217132341       16.2154130371       17.6836856453
 Cu        15.7736476986       15.7115338125       10.2580929482
 Cu        14.2922688674       16.2666121509       14.2885606385
 Cu        13.3469357071       15.4376398462       10.9139067824
 Cu        10.7671826442       15.3663533734       14.2605225254
 Cu        10.8241487700       15.6502629549       16.7859705737
 Cu        10.9922787099       15.0651589784       11.7614404358
 Cu        16.3053442509       17.7339813605       14.0884042880
 Cu        14.7028857899       17.8140580117       16.3117451863
 Cu        14.8387806660       17.2462096890       12.0591545671
 Cu        12.2247012657       17.1808176356       15.3614016826
 Cu        12.3699909481       16.9150054399       12.8349603531
 Zr        13.8933895009       18.9248107522       14.1472222821
  O        13.9993073444       20.6550332669       15.2080081562
  C        14.3712860793       19.8822086643       16.2620359566
  O        14.6021688791       20.2693468365       17.3930447793
      58
 i =      111, E =     -2681.7888297906
 Zr        15.5678462632        8.9430012977       15.1832117241
 Cu        17.0393046346       10.8408637939       16.3219716371
 Cu        17.1397196377       10.5511319871       13.7505979681
 Cu        14.5853378796       10.5057182340       17.0932117803
 Cu        14.7097086171       10.0227942829       12.9025532937
 Cu        13.1298146074       10.0018875841       15.0002932939
 Cu        18.4193981676       12.6783756859       17.3734721692
 Cu        18.5760203436       12.0765595180       12.3600458200
 Cu        18.6117545112       12.3426406270       14.8836287975
 Cu        16.0653786559       12.3109039492       18.2255006926
 Cu        15.1153752607       11.5054614256       14.8512874762
 Cu        13.6368917263       12.0248972919       18.8748956545
 Cu        16.2775520866       11.5118366003       11.4709497723
 Cu        13.8938404103       11.0628891301       10.7541337749
 Cu        12.1699693600       11.4576217549       16.9015043686
 Cu        12.3000282670       10.9730637813       12.7146741511
 Cu        10.8418402656       11.0224674143       14.7806978811
 Cu        16.5687157653       13.2863632678       15.9872684356
 Cu        16.6537547965       12.9815074851       13.4538312867
 Cu        14.1709451554       12.9581154348       16.7399300901
 Cu        14.2931028452       12.4701813278       12.6401523721
 Cu        12.7571207450       12.4498001212       14.6768584091
 Cu        18.6043546283       14.7084702831       15.8980268339
 Cu        18.6844539956       14.4026133122       13.3299303616
 Cu        17.0211741728       14.6946474746       17.9714190050
 Cu        17.2407765020       13.8942975661       11.2180988939
 Cu        14.5811900072       14.3602394250       18.7381426065
 Cu        14.7034216819       13.8865579465       14.5700310043
 Cu        14.8319726886       13.3770385950       10.3902667013
 Cu        12.1625373077       13.8263211935       17.9166851196
 Cu        12.3806513986       13.0453038910       11.1608112600
 Cu        10.7382280695       13.3156422871       15.8234714179
 Cu        10.8141182393       13.0198488627       13.2335480936
 Cu        16.6576640657       15.3107097331       14.4604636227
 Cu        15.1019504255       15.3455579040       16.4873210635
 Cu        15.2444114193       14.8077412257       12.3953595496
 Cu        12.7493448662       14.7800378538       15.6874058607
 Cu        12.8298081845       14.4800506168       13.1549271622
 Cu        18.5855346165       16.7078148711       14.3570216605
 Cu        17.1230362179       16.7639719125       16.4251320777
 Cu        17.2821776946       16.2522011272       12.2195941807
 Cu        15.5274044349       16.6570040424       18.4216222353
 Cu        13.1197421627       16.2141734864       17.6842919632
 Cu        15.7730371769       15.7118744280       10.2598708886
 Cu        14.2918503635       16.2660115671       14.2897617048
 Cu        13.3462399762       15.4380371184       10.9153579206
 Cu        10.7660915073       15.3651616002       14.2616048634
 Cu        10.8227013125       15.6472676291       16.7869563720
 Cu        10.9917331441       15.0636914122       11.7627042557
 Cu        16.3053771563       17.7339245359       14.0894552491
 Cu        14.7025477284       17.8141946075       16.3126219923
 Cu        14.8386979472       17.2461205342       12.0611038935
 Cu        12.2240151546       17.1793432145       15.3622403539
 Cu        12.3694812195       16.9137565759       12.8365216927
 Zr        13.8931255941       18.9238467901       14.1478420852
  O        13.9990420347       20.6543730737       15.2081788639
  C        14.3709075225       19.8817826011       16.2625758477
  O        14.6020108208       20.2692492664       17.3934430085
      58
 i =      112, E =     -2681.7888316195
 Zr        15.5690018344        8.9428899269       15.1841155215
 Cu        17.0394294181       10.8411460266       16.3229396407
 Cu        17.1395387471       10.5510391819       13.7508191490
 Cu        14.5861507120       10.5058353491       17.0941299592
 Cu        14.7100763295       10.0226927048       12.9031428180
 Cu        13.1310081942       10.0006054206       15.0011089329
 Cu        18.4190766133       12.6786325698       17.3746108020
 Cu        18.5757562358       12.0768973140       12.3607833874
 Cu        18.6110265072       12.3420895894       14.8845975553
 Cu        16.0649076511       12.3114869516       18.2266841164
 Cu        15.1154670630       11.5053475473       14.8521524842
 Cu        13.6365272474       12.0244438395       18.8757136788
 Cu        16.2772374248       11.5124052176       11.4714237967
 Cu        13.8936672824       11.0633566529       10.7545468379
 Cu        12.1704904268       11.4564208581       16.9018587769
 Cu        12.3004436002       10.9723872185       12.7152052143
 Cu        10.8424630473       11.0208530946       14.7810052703
 Cu        16.5682981730       13.2866007148       15.9883762160
 Cu        16.6533724893       12.9815626105       13.4548738251
 Cu        14.1705628280       12.9581500715       16.7408169272
 Cu        14.2928560359       12.4702294998       12.6409351204
 Cu        12.7572768381       12.4486832829       14.6774036724
 Cu        18.6039970812       14.7082188502       15.8988906097
 Cu        18.6842043220       14.4026259397       13.3314231942
 Cu        17.0203058211       14.6949480889       17.9726565855
 Cu        17.2407698147       13.8949602843       11.2195740177
 Cu        14.5801013078       14.3603238367       18.7393265195
 Cu        14.7029688721       13.8863988656       14.5709536054
 Cu        14.8317687145       13.3776202072       10.3913674344
 Cu        12.1617419433       13.8255118384       17.9172603553
 Cu        12.3805206530       13.0454252861       11.1615044441
 Cu        10.7379663088       13.3139278884       15.8233754117
 Cu        10.8141062490       13.0188718273       13.2341573057
 Cu        16.6572688008       15.3106774182       14.4619567594
 Cu        15.1010792297       15.3453239984       16.4883088699
 Cu        15.2441109624       14.8078975942       12.3967499010
 Cu        12.7484244520       14.7792225002       15.6880124095
 Cu        12.8293419343       14.4797105679       13.1559901511
 Cu        18.5855950627       16.7075527520       14.3583355263
 Cu        17.1225264840       16.7636069775       16.4263336866
 Cu        17.2820583112       16.2526187495       12.2211907806
 Cu        15.5251874346       16.6570402242       18.4224279354
 Cu        13.1180680195       16.2136440727       17.6847953313
 Cu        15.7729245137       15.7121602661       10.2614723817
 Cu        14.2914780290       16.2657058958       14.2907246443
 Cu        13.3458356571       15.4383763834       10.9167660428
 Cu        10.7654956701       15.3644566434       14.2625214545
 Cu        10.8214938715       15.6453461420       16.7877377148
 Cu        10.9911253003       15.0627291723       11.7637406550
 Cu        16.3056255679       17.7339552548       14.0904705945
 Cu        14.7022049583       17.8139891736       16.3133246463
 Cu        14.8389846860       17.2463905009       12.0627228365
 Cu        12.2233631554       17.1785203320       15.3629882616
 Cu        12.3692004168       16.9133233842       12.8375763040
 Zr        13.8927275384       18.9234152364       14.1486569624
  O        13.9989328925       20.6542319780       15.2084537882
  C        14.3705610126       19.8816865121       16.2630003785
  O        14.6019083422       20.2692162019       17.3937356573
      58
 i =      113, E =     -2681.7888333279
 Zr        15.5700025927        8.9428464693       15.1851449864
 Cu        17.0393967276       10.8414558247       16.3242969212
 Cu        17.1394156380       10.5508687059       13.7514093304
 Cu        14.5867488822       10.5059720315       17.0952325406
 Cu        14.7101305697       10.0225088954       12.9039226977
 Cu        13.1319567412        9.9996594092       15.0020933643
 Cu        18.4186698768       12.6791303221       17.3760927883
 Cu        18.5756012973       12.0771089556       12.3618396950
 Cu        18.6103836757       12.3414133360       14.8859279122
 Cu        16.0642092800       12.3118788770       18.2279352274
 Cu        15.1155653059       11.5052490668       14.8531200748
 Cu        13.6359320137       12.0241414615       18.8765011482
 Cu        16.2771003700       11.5126397342       11.4723350089
 Cu        13.8935533183       11.0636538146       10.7551612598
 Cu        12.1707988995       11.4556872244       16.9021062167
 Cu        12.3007428660       10.9719320256       12.7160212579
 Cu        10.8428698980       11.0196033875       14.7814634766
 Cu        16.5678266732       13.2867669743       15.9896582315
 Cu        16.6529757976       12.9815429793       13.4559595405
 Cu        14.1701464723       12.9583183499       16.7417335435
 Cu        14.2927748062       12.4701789883       12.6418667551
 Cu        12.7573492892       12.4478226377       14.6779884190
 Cu        18.6036280993       14.7081132529       15.8999053328
 Cu        18.6838838246       14.4024147204       13.3331434783
 Cu        17.0194957669       14.6953138595       17.9738235847
 Cu        17.2408781302       13.8953868593       11.2210115807
 Cu        14.5791458204       14.3605964843       18.7404644235
 Cu        14.7025674288       13.8862144442       14.5719507566
 Cu        14.8316489734       13.3779974248       10.3927011764
 Cu        12.1609501707       13.8251652583       17.9179669299
 Cu        12.3804902363       13.0453393514       11.1622604736
 Cu        10.7376760763       13.3128541797       15.8233795483
 Cu        10.8142109055       13.0180342928       13.2346553299
 Cu        16.6567499308       15.3106340336       14.4633111333
 Cu        15.1005195376       15.3452254421       16.4892774750
 Cu        15.2439274307       14.8081477447       12.3981191762
 Cu        12.7477032443       14.7785546932       15.6887455352
 Cu        12.8289740549       14.4793017570       13.1568538558
 Cu        18.5855283339       16.7072268670       14.3594379535
 Cu        17.1219343309       16.7634522588       16.4272763563
 Cu        17.2820380693       16.2527937340       12.2224906080
 Cu        15.5234324291       16.6575157887       18.4230410392
 Cu        13.1166669258       16.2135167366       17.6851312413
 Cu        15.7729632491       15.7123853315       10.2630168200
 Cu        14.2910661770       16.2655495838       14.2916329657
 Cu        13.3455951073       15.4385622147       10.9181437343
 Cu        10.7651303738       15.3638311404       14.2631756020
 Cu        10.8204085938       15.6441701799       16.7882638270
 Cu        10.9906399212       15.0620048832       11.7644721675
 Cu        16.3056819838       17.7341806283       14.0914687426
 Cu        14.7016190673       17.8137632691       16.3139259654
 Cu        14.8391743790       17.2468810668       12.0641825972
 Cu        12.2229094801       17.1779174837       15.3638023132
 Cu        12.3689635880       16.9131298080       12.8384418511
 Zr        13.8920677096       18.9233142143       14.1494911999
  O        13.9988893049       20.6544191575       15.2087679352
  C        14.3700787513       19.8818443799       16.2633618237
  O        14.6018590573       20.2692225810       17.3939739691
      58
 i =      114, E =     -2681.7888354298
 Zr        15.5708131699        8.9429670949       15.1866871541
 Cu        17.0391483928       10.8418513426       16.3264860009
 Cu        17.1392275837       10.5506758539       13.7526339973
 Cu        14.5870357446       10.5062765392       17.0968426759
 Cu        14.7098682479       10.0222730593       12.9052247557
 Cu        13.1326157380        9.9991344003       15.0036332116
 Cu        18.4180301885       12.6800731417       17.3782411843
 Cu        18.5754640978       12.0771139569       12.3634229736
 Cu        18.6096750066       12.3405069223       14.8879758483
 Cu        16.0631288695       12.3123697764       18.2295599897
 Cu        15.1155834845       11.5052285558       14.8545234280
 Cu        13.6349918763       12.0242830067       18.8775606798
 Cu        16.2770351630       11.5125528904       11.4739265908
 Cu        13.8934798571       11.0638120437       10.7562201663
 Cu        12.1707082787       11.4556048205       16.9025736351
 Cu        12.3009638384       10.9716782211       12.7172951665
 Cu        10.8430421900       11.0187900934       14.7821695619
 Cu        16.5672070430       13.2869027384       15.9914016112
 Cu        16.6525301767       12.9814436828       13.4574010751
 Cu        14.1695627617       12.9586918226       16.7429119335
 Cu        14.2928452901       12.4700482429       12.6431985805
 Cu        12.7572594241       12.4473408064       14.6788712087
 Cu        18.6032116833       14.7080901806       15.9012526059
 Cu        18.6835186682       14.4018096470       13.3354437922
 Cu        17.0186037817       14.6959809331       17.9751040778
 Cu        17.2410430023       13.8954975981       11.2226524797
 Cu        14.5781162419       14.3612723774       18.7416693952
 Cu        14.7021809539       13.8860957018       14.5732462817
 Cu        14.8315896558       13.3781872671       10.3944603104
 Cu        12.1600105607       13.8254480987       17.9188419269
 Cu        12.3805571504       13.0450713423       11.1632485102
 Cu        10.7371660890       13.3124977053       15.8235514084
 Cu        10.8144139433       13.0173839642       13.2351336928
 Cu        16.6561387689       15.3106462825       14.4647295835
 Cu        15.1002004997       15.3454114352       16.4903615331
 Cu        15.2438925864       14.8084764332       12.3997042874
 Cu        12.7470666597       14.7781698842       15.6896209066
 Cu        12.8287196067       14.4788624724       13.1576695251
 Cu        18.5854786745       16.7067681419       14.3604401029
 Cu        17.1213300776       16.7636001925       16.4280609691
 Cu        17.2822177474       16.2526602291       12.2236975383
 Cu        15.5220142457       16.6586143337       18.4236123740
 Cu        13.1154960996       16.2138511523       17.6852740025
 Cu        15.7731859837       15.7125191535       10.2646964113
 Cu        14.2906297926       16.2656437386       14.2926433437
 Cu        13.3456165453       15.4386556352       10.9196498287
 Cu        10.7649017566       15.3634095398       14.2635385306
 Cu        10.8193378976       15.6438706172       16.7884895429
 Cu        10.9904010656       15.0615882957       11.7649219956
 Cu        16.3056690676       17.7346061157       14.0925354252
 Cu        14.7008223010       17.8136608103       16.3144491561
 Cu        14.8393488110       17.2475348554       12.0656042474
 Cu        12.2226014724       17.1777324660       15.3647021898
 Cu        12.3688081510       16.9132001922       12.8392585711
 Zr        13.8912926895       18.9236015970       14.1502718408
  O        13.9989106431       20.6549912519       15.2090695563
  C        14.3695405730       19.8822959990       16.2636181068
  O        14.6018251757       20.2692717013       17.3941344809
      58
 i =      115, E =     -2681.7888378154
 Zr        15.5713694203        8.9431924892       15.1886610249
 Cu        17.0387770693       10.8422182600       16.3293870696
 Cu        17.1391618141       10.5506293872       13.7545501665
 Cu        14.5868703217       10.5065422362       17.0987864277
 Cu        14.7096092215       10.0220040511       12.9070329751
 Cu        13.1328599214        9.9990275729       15.0056989839
 Cu        18.4171681711       12.6813990290       17.3808935807
 Cu        18.5754157883       12.0770492030       12.3654454005
 Cu        18.6090303817       12.3397399162       14.8906365824
 Cu        16.0618369393       12.3128861293       18.2314264619
 Cu        15.1155152834       11.5052226099       14.8563478932
 Cu        13.6338651874       12.0247828717       18.8789032233
 Cu        16.2771787678       11.5122211767       11.4761351521
 Cu        13.8937182858       11.0636702459       10.7577073998
 Cu        12.1700821174       11.4560252647       16.9034825027
 Cu        12.3011949495       10.9714280784       12.7188303281
 Cu        10.8429909260       11.0183782823       14.7830399332
 Cu        16.5664952465       13.2869779273       15.9935161734
 Cu        16.6521745795       12.9813197261       13.4592721049
 Cu        14.1688203902       12.9590006875       16.7443412950
 Cu        14.2930933554       12.4697627910       12.6448627792
 Cu        12.7569767486       12.4472219083       14.6800988460
 Cu        18.6026710049       14.7082287043       15.9030150804
 Cu        18.6831818751       14.4010564416       13.3382893727
 Cu        17.0175436395       14.6969007488       17.9765224273
 Cu        17.2411621345       13.8953160550       11.2244835850
 Cu        14.5769689895       14.3620935518       18.7428551525
 Cu        14.7018204632       13.8860210679       14.5748200481
 Cu        14.8317000650       13.3781132455       10.3964621039
 Cu        12.1589938990       13.8260706986       17.9197842861
 Cu        12.3807917054       13.0444913034       11.1643826485
 Cu        10.7363869462       13.3126050000       15.8240379653
 Cu        10.8146371522       13.0168221071       13.2356055830
 Cu        16.6554788305       15.3107866685       14.4662507743
 Cu        15.0998988559       15.3458309885       16.4915706767
 Cu        15.2439506067       14.8087321750       12.4014683918
 Cu        12.7464754319       14.7780192985       15.6905511719
 Cu        12.8285967024       14.4783399422       13.1584724060
 Cu        18.5852767360       16.7064523028       14.3615521326
 Cu        17.1206120514       16.7641286693       16.4289021307
 Cu        17.2824410139       16.2522879985       12.2249680391
 Cu        15.5208923089       16.6600008626       18.4243560466
 Cu        13.1145721719       16.2143989293       17.6853730433
 Cu        15.7734370605       15.7125654565       10.2664347500
 Cu        14.2900909537       16.2658992316       14.2938056750
 Cu        13.3459003690       15.4385155552       10.9211139117
 Cu        10.7646728684       15.3630565988       14.2636052396
 Cu        10.8183109239       15.6442450996       16.7884072272
 Cu        10.9904967232       15.0613169886       11.7650891536
 Cu        16.3052981600       17.7350514251       14.0937462447
 Cu        14.6996991198       17.8137768552       16.3149941300
 Cu        14.8392510808       17.2480166547       12.0668990740
 Cu        12.2222031199       17.1779108874       15.3656142890
 Cu        12.3685320876       16.9132307961       12.8400372277
 Zr        13.8903586712       18.9240637106       14.1508785450
  O        13.9989803844       20.6557595632       15.2092619484
  C        14.3690221964       19.8828974262       16.2636953137
  O        14.6018493035       20.2693284892       17.3941801285
      58
 i =      116, E =     -2681.7888408363
 Zr        15.5710355794        8.9437570297       15.1916908075
 Cu        17.0379892361       10.8426817404       16.3333908502
 Cu        17.1388163452       10.5506528663       13.7575605491
 Cu        14.5857878821       10.5072654755       17.1014361309
 Cu        14.7090043505       10.0219115517       12.9098506629
 Cu        13.1322074893        9.9998743299       15.0088976118
 Cu        18.4160320282       12.6832090968       17.3842380240
 Cu        18.5752146329       12.0765622673       12.3681276302
 Cu        18.6082474035       12.3389765740       14.8940712934
 Cu        16.0602583377       12.3138800208       18.2337093067
 Cu        15.1150905456       11.5055006883       14.8589729469
 Cu        13.6324120763       12.0264045756       18.8808552832
 Cu        16.2772216433       11.5115881821       11.4793033038
 Cu        13.8940228516       11.0633270370       10.7599631518
 Cu        12.1685809303       11.4577129144       16.9052681172
 Cu        12.3011735731       10.9715459853       12.7209525432
 Cu        10.8424564201       11.0190810864       14.7844177804
 Cu        16.5657048977       13.2872067310       15.9961581501
 Cu        16.6518475183       12.9811539421       13.4618743854
 Cu        14.1678241354       12.9596963306       16.7462433039
 Cu        14.2933144343       12.4695433344       12.6471065576
 Cu        12.7563321779       12.4480348373       14.6819848761
 Cu        18.6021398093       14.7084657728       15.9052515051
 Cu        18.6829632400       14.3999132170       13.3418812088
 Cu        17.0164027976       14.6983585752       17.9782158962
 Cu        17.2411992194       13.8945844747       11.2267394654
 Cu        14.5757861383       14.3636189493       18.7440668400
 Cu        14.7015011835       13.8862981332       14.5768175782
 Cu        14.8319909649       13.3777692179       10.3988701277
 Cu        12.1578878797       13.8277694856       17.9208178453
 Cu        12.3811685492       13.0439402746       11.1658031674
 Cu        10.7352797232       13.3139785268       15.8249739836
 Cu        10.8147964280       13.0169493307       13.2362372915
 Cu        16.6550222258       15.3111468672       14.4679912037
 Cu        15.0997130200       15.3468121814       16.4929242077
 Cu        15.2442163441       14.8089366945       12.4035375971
 Cu        12.7460148700       14.7787816093       15.6915510547
 Cu        12.8286934988       14.4781613657       13.1594034858
 Cu        18.5852997304       16.7061974206       14.3627799428
 Cu        17.1201882623       16.7651801158       16.4298371160
 Cu        17.2829445443       16.2515197328       12.2263765058
 Cu        15.5203617291       16.6621066708       18.4251754020
 Cu        13.1141464083       16.2157482750       17.6854835478
 Cu        15.7739482673       15.7123599227       10.2682744649
 Cu        14.2897741675       16.2665560200       14.2950322667
 Cu        13.3466924368       15.4383540589       10.9225374010
 Cu        10.7645752135       15.3635123763       14.2633788759
 Cu        10.8175134671       15.6461703988       16.7879688291
 Cu        10.9911716382       15.0616719857       11.7650608959
 Cu        16.3050665118       17.7354949916       14.0949329759
 Cu        14.6987932734       17.8144621515       16.3153808930
 Cu        14.8393052465       17.2482673836       12.0679156861
 Cu        12.2220150544       17.1790531968       15.3662942598
 Cu        12.3684823776       16.9135806585       12.8407119555
 Zr        13.8899371949       18.9248653977       14.1509840207
  O        13.9990857568       20.6567464121       15.2092708830
  C        14.3687083326       19.8837172547       16.2635183799
  O        14.6018288562       20.2694310612       17.3941062061
      58
 i =      117, E =     -2681.7888442040
 Zr        15.5700286941        8.9444101218       15.1954561511
 Cu        17.0370430691       10.8431473244       16.3378711026
 Cu        17.1384760341       10.5508047318       13.7613621158
 Cu        14.5839651816       10.5080581465       17.1044367363
 Cu        14.7085617699       10.0219795435       12.9133902823
 Cu        13.1308483968       10.0012032750       15.0129099259
 Cu        18.4148180246       12.6850954215       17.3879097537
 Cu        18.5749922588       12.0760563573       12.3712294956
 Cu        18.6075391601       12.3387695804       14.8977735917
 Cu        16.0587296187       12.3150761741       18.2361907501
 Cu        15.1144121741       11.5058688150       14.8621977184
 Cu        13.6308632229       12.0284625067       18.8832609984
 Cu        16.2773462959       11.5109532229       11.4830552660
 Cu        13.8946839726       11.0626560420       10.7627176083
 Cu        12.1664954435       11.4598675635       16.9078396036
 Cu        12.3010981008       10.9715922764       12.7233512670
 Cu        10.8416096596       11.0203333679       14.7862051693
 Cu        16.5649714453       13.2876108913       15.9990976970
 Cu        16.6516802040       12.9810254891       13.4651717895
 Cu        14.1666979379       12.9603790545       16.7485269893
 Cu        14.2934433630       12.4693103523       12.6497070288
 Cu        12.7554552061       12.4492461249       14.6843553654
 Cu        18.6014905356       14.7089486617       15.9080214837
 Cu        18.6828578144       14.3990542807       13.3459540727
 Cu        17.0150908943       14.7000207407       17.9803463367
 Cu        17.2411376021       13.8936446846       11.2294827992
 Cu        14.5745055998       14.3652274263       18.7454450216
 Cu        14.7011635622       13.8867260002       14.5791408842
 Cu        14.8325552102       13.3771908627       10.4014670081
 Cu        12.1567327845       13.8296496007       17.9219181934
 Cu        12.3817368390       13.0433085666       11.1673383092
 Cu        10.7339835208       13.3157261614       15.8263123659
 Cu        10.8147757954       13.0173257058       13.2370884298
 Cu        16.6547119205       15.3116636419       14.4701905754
 Cu        15.0991845078       15.3479514444       16.4945489415
 Cu        15.2445017818       14.8088880761       12.4059171898
 Cu        12.7455189676       14.7799664940       15.6926368983
 Cu        12.8288711892       14.4781465928       13.1606096797
 Cu        18.5851356994       16.7064166599       14.3646224527
 Cu        17.1196860577       16.7665592880       16.4313567375
 Cu        17.2833495053       16.2507139158       12.2283089486
 Cu        15.5198273859       16.6642046220       18.4263671821
 Cu        13.1137730482       16.2172802392       17.6860337138
 Cu        15.7744839342       15.7119307886       10.2703076034
 Cu        14.2894899127       16.2671971950       14.2963973635
 Cu        13.3477319728       15.4380202550       10.9238544289
 Cu        10.7643873953       15.3642555689       14.2632080260
 Cu        10.8168295214       15.6485672587       16.7875618011
 Cu        10.9921776395       15.0620656355       11.7651399172
 Cu        16.3045795265       17.7356747705       14.0962899591
 Cu        14.6978780263       17.8155150790       16.3159131697
 Cu        14.8392244758       17.2479602630       12.0688328678
 Cu        12.2216394796       17.1805089215       15.3667395955
 Cu        12.3683568013       16.9136791738       12.8413434782
 Zr        13.8897270843       18.9254398663       14.1507931232
  O        13.9991455173       20.6575020298       15.2091084865
  C        14.3685745761       19.8844234023       16.2632163999
  O        14.6018045440       20.2695411701       17.3939981561
      58
 i =      118, E =     -2681.7888473379
 Zr        15.5675871714        8.9452709903       15.1991790502
 Cu        17.0358183444       10.8436694673       16.3412190939
 Cu        17.1375211513       10.5507507495       13.7647390865
 Cu        14.5814322644       10.5094485280       17.1070435465
 Cu        14.7076604684       10.0225036144       12.9167745237
 Cu        13.1284898655       10.0034665142       15.0166471906
 Cu        18.4140529828       12.6862332644       17.3904745899
 Cu        18.5745045552       12.0750657198       12.3736412941
 Cu        18.6070260230       12.3389293641       14.9001577043
 Cu        16.0577701340       12.3165917821       18.2379563955
 Cu        15.1133376505       11.5066372472       14.8650608819
 Cu        13.6296111976       12.0312857805       18.8853949283
 Cu        16.2769985051       11.5103635350       11.4861208613
 Cu        13.8949008333       11.0620626162       10.7651938232
 Cu        12.1643210165       11.4629597966       16.9104275574
 Cu        12.3005092734       10.9723284537       12.7255234783
 Cu        10.8402623289       11.0230083313       14.7881680102
 Cu        16.5647057011       13.2883408589       16.0011101572
 Cu        16.6516590797       12.9808950909       13.4679361030
 Cu        14.1658853491       12.9616316848       16.7503321122
 Cu        14.2931490965       12.4695366560       12.6517882085
 Cu        12.7544914088       12.4513556160       14.6864309439
 Cu        18.6013425738       14.7093884855       15.9099336187
 Cu        18.6830421144       14.3984294055       13.3485471583
 Cu        17.0146088519       14.7015253686       17.9819280347
 Cu        17.2410854465       13.8923612155       11.2315622381
 Cu        14.5740813140       14.3671933536       18.7463247366
 Cu        14.7010585799       13.8876148961       14.5807953813
 Cu        14.8331418008       13.3764980457       10.4032413458
 Cu        12.1561056595       13.8322889467       17.9225975081
 Cu        12.3822025219       13.0434260401       11.1684041750
 Cu        10.7330737175       13.3187729289       15.8274776295
 Cu        10.8144942325       13.0189296806       13.2378730301
 Cu        16.6551155809       15.3121602811       14.4717507814
 Cu        15.0989910169       15.3492771746       16.4955403611
 Cu        15.2449812176       14.8086267991       12.4074645844
 Cu        12.7455149896       14.7822252383       15.6932517325
 Cu        12.8292493977       14.4790383119       13.1614954904
 Cu        18.5854764263       16.7067723173       14.3658300533
 Cu        17.1200690967       16.7678362178       16.4324154900
 Cu        17.2839659930       16.2498921416       12.2295620602
 Cu        15.5203495148       16.6662035094       18.4269141245
 Cu        13.1142653414       16.2194256351       17.6866417216
 Cu        15.7753505278       15.7110477194       10.2714205136
 Cu        14.2899392453       16.2679663387       14.2968609460
 Cu        13.3489980355       15.4379487350       10.9242843585
 Cu        10.7645762711       15.3662468496       14.2630071389
 Cu        10.8170630616       15.6520875835       16.7872318814
 Cu        10.9934571054       15.0632525600       11.7651822269
 Cu        16.3049525203       17.7355956470       14.0965920249
 Cu        14.6983490348       17.8169245060       16.3158301359
 Cu        14.8398191630       17.2472747804       12.0687326048
 Cu        12.2219430549       17.1826500127       15.3661981521
 Cu        12.3689331285       16.9142784007       12.8412484588
 Zr        13.8909010239       18.9259662151       14.1498271027
  O        13.9991512410       20.6578420959       15.2087611114
  C        14.3689619812       19.8848847294       16.2627817395
  O        14.6016355923       20.2697148370       17.3938646027
      58
 i =      119, E =     -2681.7888496568
 Zr        15.5656722617        8.9456250536       15.2015713771
 Cu        17.0351225979       10.8439872458       16.3425023513
 Cu        17.1369403543       10.5506174059       13.7667014168
 Cu        14.5796250425       10.5101707521       17.1085081594
 Cu        14.7074480314       10.0228978909       12.9188888042
 Cu        13.1267850541       10.0047068510       15.0186537686
 Cu        18.4138443549       12.6862683327       17.3916044824
 Cu        18.5743295838       12.0746682034       12.3751045709
 Cu        18.6070190105       12.3397953891       14.9009879503
 Cu        16.0575367137       12.3173760649       18.2387760769
 Cu        15.1125913097       11.5070528555       14.8668412858
 Cu        13.6289667421       12.0325670193       18.8866452635
 Cu        16.2769316635       11.5101914750       11.4877384948
 Cu        13.8953258290       11.0613647403       10.7666252068
 Cu        12.1632331277       11.4644282146       16.9119738501
 Cu        12.3002660678       10.9724569423       12.7267691530
 Cu        10.8393283202       11.0246009817       14.7895585462
 Cu        16.5647825451       13.2889977138       16.0020509345
 Cu        16.6518434491       12.9808461511       13.4697454491
 Cu        14.1655532412       12.9622809717       16.7513612084
 Cu        14.2928321196       12.4696645629       12.6529117919
 Cu        12.7539742552       12.4523935631       14.6875210691
 Cu        18.6012267353       14.7099429172       15.9111102581
 Cu        18.6832122762       14.3989114416       13.3495403294
 Cu        17.0144487863       14.7021112293       17.9830829213
 Cu        17.2411894048       13.8916881958       11.2329495237
 Cu        14.5739817882       14.3679355511       18.7470735647
 Cu        14.7009709784       13.8880796915       14.5816683467
 Cu        14.8337416863       13.3758354454       10.4040898826
 Cu        12.1558131138       13.8332853712       17.9229799912
 Cu        12.3826348245       13.0434199237       11.1688217481
 Cu        10.7326977638       13.3203101303       15.8280530225
 Cu        10.8141428886       13.0197754512       13.2383943611
 Cu        16.6554389781       15.3123677340       14.4729687637
 Cu        15.0984383300       15.3497313240       16.4962087579
 Cu        15.2452000828       14.8080743934       12.4083150072
 Cu        12.7454528507       14.7834794377       15.6935890051
 Cu        12.8294089463       14.4796078460       13.1621021380
 Cu        18.5852506889       16.7075384080       14.3669949307
 Cu        17.1200151004       16.7684155858       16.4334958928
 Cu        17.2840111416       16.2497134019       12.2306199832
 Cu        15.5202366905       16.6668009090       18.4273935499
 Cu        13.1142718079       16.2203518408       17.6875317207
 Cu        15.7759080571       15.7101381028       10.2720683106
 Cu        14.2901098479       16.2680014436       14.2969302806
 Cu        13.3496455736       15.4376015124       10.9242274417
 Cu        10.7645769227       15.3672169643       14.2632208294
 Cu        10.8173516714       15.6535892127       16.7875445297
 Cu        10.9940868774       15.0634407352       11.7654390557
 Cu        16.3049058402       17.7352103170       14.0966179955
 Cu        14.6987003136       17.8176049617       16.3159053823
 Cu        14.8400310352       17.2463320539       12.0685544626
 Cu        12.2217994176       17.1834751538       15.3654801759
 Cu        12.3691582370       16.9141520103       12.8408907992
 Zr        13.8915757678       18.9257173953       14.1492615840
  O        13.9990662301       20.6574965219       15.2085134670
  C        14.3692961799       19.8847603074       16.2626196726
  O        14.6015329140       20.2698336791       17.3938536049
      58
 i =      120, E =     -2681.7888509161
 Zr        15.5640632889        8.9458840589       15.2032219078
 Cu        17.0344776644       10.8442941387       16.3428983065
 Cu        17.1360259055       10.5501740507       13.7676695539
 Cu        14.5785034562       10.5110157083       17.1095515786
 Cu        14.7068614366       10.0231638896       12.9201668255
 Cu        13.1256248637       10.0055047246       15.0195991166
 Cu        18.4138677993       12.6859466776       17.3919955428
 Cu        18.5741119682       12.0740839239       12.3760423697
 Cu        18.6069515025       12.3400707187       14.9012150850
 Cu        16.0574093506       12.3180580515       18.2392111314
 Cu        15.1119663704       11.5074671830       14.8678957784
 Cu        13.6285558626       12.0335352961       18.8873880740
 Cu        16.2766037377       11.5100173883       11.4885587467
 Cu        13.8951432915       11.0610304650       10.7674497645
 Cu        12.1629446709       11.4654691310       16.9126266779
 Cu        12.2999408849       10.9728404072       12.7276885829
 Cu        10.8385910984       11.0259142894       14.7905670748
 Cu        16.5648927947       13.2895734535       16.0024267449
 Cu        16.6518672531       12.9807118220       13.4706889002
 Cu        14.1654658774       12.9631534744       16.7518552600
 Cu        14.2924800787       12.4699207583       12.6535131659
 Cu        12.7537256573       12.4531121655       14.6879595655
 Cu        18.6013963484       14.7101963447       15.9114191594
 Cu        18.6833204289       14.3991449310       13.3495876396
 Cu        17.0147267812       14.7024049363       17.9836139665
 Cu        17.2415344279       13.8911367445       11.2337064774
 Cu        14.5742521122       14.3687023277       18.7475866107
 Cu        14.7009238123       13.8884884169       14.5819876489
 Cu        14.8340974292       13.3753011165       10.4045312998
 Cu        12.1557273784       13.8342305212       17.9232668596
 Cu        12.3828477665       13.0436878160       11.1689870934
 Cu        10.7326673828       13.3215822468       15.8281403299
 Cu        10.8139098150       13.0206327495       13.2386897333
 Cu        16.6557467570       15.3123653927       14.4735548277
 Cu        15.0983063433       15.3500398402       16.4963931462
 Cu        15.2454668131       14.8076797137       12.4085964365
 Cu        12.7454905316       14.7844670737       15.6937066408
 Cu        12.8294805611       14.4802067435       13.1623221943
 Cu        18.5853423496       16.7078020878       14.3673064657
 Cu        17.1202573215       16.7684904013       16.4338035801
 Cu        17.2842225911       16.2496010207       12.2309336784
 Cu        15.5202154536       16.6673447898       18.4272869175
 Cu        13.1143424274       16.2212019337       17.6878957734
 Cu        15.7766113333       15.7092380424       10.2722789717
 Cu        14.2903618006       16.2680546215       14.2965470269
 Cu        13.3500591502       15.4374241027       10.9240749816
 Cu        10.7647206302       15.3681226391       14.2634453244
 Cu        10.8176794570       15.6545509023       16.7879931930
 Cu        10.9943125942       15.0635528115       11.7655548937
 Cu        16.3054088299       17.7350838821       14.0960867140
 Cu        14.6995450363       17.8179153725       16.3155808613
 Cu        14.8406076452       17.2459160659       12.0682490873
 Cu        12.2219092028       17.1840102835       15.3647061359
 Cu        12.3696353354       16.9144155070       12.8403200234
 Zr        13.8923394016       18.9257174593       14.1488779112
  O        13.9989972895       20.6572631131       15.2084250533
  C        14.3695361893       19.8846425704       16.2625792996
  O        14.6014198314       20.2699634401       17.3938585731
      58
 i =      121, E =     -2681.7888516536
 Zr        15.5637508748        8.9457599865       15.2042423921
 Cu        17.0343542336       10.8444649954       16.3431222014
 Cu        17.1356840765       10.5498705370       13.7682205428
 Cu        14.5782749653       10.5110895450       17.1103419295
 Cu        14.7068648727       10.0229697180       12.9209536834
 Cu        13.1254700719       10.0051446756       15.0199151535
 Cu        18.4138593638       12.6857400208       17.3924881043
 Cu        18.5742556696       12.0741173266       12.3769633180
 Cu        18.6070383182       12.3404138833       14.9016435875
 Cu        16.0572150508       12.3181266573       18.2397163956
 Cu        15.1117810674       11.5074084485       14.8686884370
 Cu        13.6282453180       12.0332095433       18.8879258537
 Cu        16.2767507468       11.5099765252       11.4891714034
 Cu        13.8953470917       11.0605092960       10.7679893201
 Cu        12.1631806113       11.4650991284       16.9127785306
 Cu        12.3001114359       10.9723934166       12.7283375121
 Cu        10.8383676632       11.0256738763       14.7911226097
 Cu        16.5648200372       13.2898146278       16.0029819370
 Cu        16.6518986603       12.9806013713       13.4715058776
 Cu        14.1653762957       12.9632738457       16.7523150211
 Cu        14.2924615825       12.4697132185       12.6540357372
 Cu        12.7537216630       12.4526705045       14.6881390581
 Cu        18.6012430860       14.7105247440       15.9119541616
 Cu        18.6831918354       14.3996786100       13.3498800026
 Cu        17.0145853470       14.7023708897       17.9842819668
 Cu        17.2420051059       13.8910822015       11.2344917039
 Cu        14.5740632826       14.3685668766       18.7483670640
 Cu        14.7007383240       13.8883246701       14.5824013218
 Cu        14.8344255974       13.3747568306       10.4050766312
 Cu        12.1554093515       13.8338240444       17.9237100155
 Cu        12.3831226445       13.0432436994       11.1691892662
 Cu        10.7325265490       13.3212316478       15.8280606297
 Cu        10.8138487415       13.0202110477       13.2388635659
 Cu        16.6554905954       15.3122425159       14.4743383247
 Cu        15.0978457609       15.3498158424       16.4968561824
 Cu        15.2455222695       14.8072348568       12.4090579657
 Cu        12.7451625049       14.7841300030       15.6940003912
 Cu        12.8293300666       14.4799202324       13.1625639353
 Cu        18.5848060700       16.7081380201       14.3679406959
 Cu        17.1196676094       16.7682986104       16.4343699705
 Cu        17.2840304894       16.2497636239       12.2315006055
 Cu        15.5191786034       16.6672435324       18.4276691980
 Cu        13.1136143167       16.2209113784       17.6882778345
 Cu        15.7769479775       15.7085999344       10.2728168613
 Cu        14.2899861720       16.2676657621       14.2966343979
 Cu        13.3500644854       15.4368248577       10.9242911098
 Cu        10.7645131163       15.3676085129       14.2637501109
 Cu        10.8173818114       15.6537525050       16.7886253696
 Cu        10.9940913392       15.0625981912       11.7656471522
 Cu        16.3050897948       17.7350343620       14.0961341547
 Cu        14.6993214823       17.8175863819       16.3157998580
 Cu        14.8404952434       17.2456231544       12.0685633899
 Cu        12.2213429956       17.1833793267       15.3645606474
 Cu        12.3695048680       16.9139721584       12.8400964212
 Zr        13.8918682727       18.9254041146       14.1492328038
  O        13.9989310859       20.6569852164       15.2084873658
  C        14.3693981622       19.8844048028       16.2627756979
  O        14.6014242833       20.2700827708       17.3939291204
      58
 i =      122, E =     -2681.7888496404
 Zr        15.5637508748        8.9457599865       15.2042423921
 Cu        17.0343542336       10.8444649954       16.3431222014
 Cu        17.1356840765       10.5498705370       13.7682205428
 Cu        14.5782749653       10.5110895450       17.1103419295
 Cu        14.7068648727       10.0229697180       12.9209536834
 Cu        13.1254700719       10.0051446756       15.0199151535
 Cu        18.4138593638       12.6857400208       17.3924881043
 Cu        18.5742556696       12.0741173266       12.3769633180
 Cu        18.6070383182       12.3404138833       14.9016435875
 Cu        16.0572150508       12.3181266573       18.2397163956
 Cu        15.1117810674       11.5074084485       14.8686884370
 Cu        13.6282453180       12.0332095433       18.8879258537
 Cu        16.2767507468       11.5099765252       11.4891714034
 Cu        13.8953470917       11.0605092960       10.7679893201
 Cu        12.1631806113       11.4650991284       16.9127785306
 Cu        12.3001114359       10.9723934166       12.7283375121
 Cu        10.8383676632       11.0256738763       14.7911226097
 Cu        16.5648200372       13.2898146278       16.0029819370
 Cu        16.6518986603       12.9806013713       13.4715058776
 Cu        14.1653762957       12.9632738457       16.7523150211
 Cu        14.2924615825       12.4697132185       12.6540357372
 Cu        12.7537216630       12.4526705045       14.6881390581
 Cu        18.6012430860       14.7105247440       15.9119541616
 Cu        18.6831918354       14.3996786100       13.3498800026
 Cu        17.0145853470       14.7023708897       17.9842819668
 Cu        17.2420051059       13.8910822015       11.2344917039
 Cu        14.5740632826       14.3685668766       18.7483670640
 Cu        14.7007383240       13.8883246701       14.5824013218
 Cu        14.8344255974       13.3747568306       10.4050766312
 Cu        12.1554093515       13.8338240444       17.9237100155
 Cu        12.3831226445       13.0432436994       11.1691892662
 Cu        10.7325265490       13.3212316478       15.8280606297
 Cu        10.8138487415       13.0202110477       13.2388635659
 Cu        16.6554905954       15.3122425159       14.4743383247
 Cu        15.0978457609       15.3498158424       16.4968561824
 Cu        15.2455222695       14.8072348568       12.4090579657
 Cu        12.7451625049       14.7841300030       15.6940003912
 Cu        12.8293300666       14.4799202324       13.1625639353
 Cu        18.5848060700       16.7081380201       14.3679406959
 Cu        17.1196676094       16.7682986104       16.4343699705
 Cu        17.2840304894       16.2497636239       12.2315006055
 Cu        15.5191786034       16.6672435324       18.4276691980
 Cu        13.1136143167       16.2209113784       17.6882778345
 Cu        15.7769479775       15.7085999344       10.2728168613
 Cu        14.2899861720       16.2676657621       14.2966343979
 Cu        13.3500644854       15.4368248577       10.9242911098
 Cu        10.7645131163       15.3676085129       14.2637501109
 Cu        10.8173818114       15.6537525050       16.7886253696
 Cu        10.9940913392       15.0625981912       11.7656471522
 Cu        16.3050897948       17.7350343620       14.0961341547
 Cu        14.6993214823       17.8175863819       16.3157998580
 Cu        14.8404952434       17.2456231544       12.0685633899
 Cu        12.2213429956       17.1833793267       15.3645606474
 Cu        12.3695048680       16.9139721584       12.8400964212
 Zr        13.8918682727       18.9254041146       14.1492328038
  O        13.9989310859       20.6569852164       15.2084873658
  C        14.3693981622       19.8844048028       16.2627756979
  O        14.6014242833       20.2700827708       17.3939291204
