      10
 i =        1, E =         0.0043300234
  C         4.8251818062        6.0168854533        5.9999974557
  H         3.7840855152        5.5321378054        5.9999960483
  C         5.9184918885        5.2057870775        5.9999998004
  C         7.1726494150        5.8352708302        5.9999985526
  H         8.0885957335        5.1869443239        6.0000021136
  N         7.2654398918        7.1538941717        5.9999953674
  H         8.2229434031        7.5655090229        5.9999920121
  H         5.8408769619        4.1200206611        6.0000058731
  O         4.8511464871        7.3075653991        5.9999925874
  H         6.0722888976        7.7951852548        6.0000201893
      10
 i =        2, E =         0.0166361207
  C         4.8132299109        6.0357070697        5.9999928888
  H         3.7951006815        5.5496103215        5.9999895795
  C         5.9382649321        5.1989976601        5.9999998225
  C         7.1784654537        5.8456329434        5.9999963463
  H         8.0898838024        5.1915212258        6.0000049987
  N         7.2619062691        7.1971812437        5.9999895931
  H         8.2291568626        7.5517031636        5.9999797919
  H         5.8391489410        4.1150051763        6.0000148324
  O         4.8392027815        7.3386488597        5.9999835130
  H         6.0573403653        7.6951923362        6.0000486339
      10
 i =        3, E =        -0.0007869931
  C         4.7954952405        6.0318282622        5.9999887593
  H         3.8123804163        5.5660889000        5.9999843587
  C         5.9300575043        5.2187490957        6.0000002865
  C         7.2007272649        5.8588408939        5.9999950241
  H         8.0820032326        5.2080790683        6.0000060214
  N         7.2674653970        7.1774973905        5.9999885830
  H         8.2240250666        7.5494022849        5.9999721815
  H         5.8400073938        4.1172860573        6.0000205515
  O         4.8416834647        7.3378639416        5.9999827851
  H         6.0478550193        7.6535641055        6.0000614490
      10
 i =        4, E =         0.0095371220
  C         4.8006090782        6.0357854772        5.9999852552
  H         3.8131303847        5.5758871312        5.9999787694
  C         5.9286320063        5.2295327936        6.0000010776
  C         7.1956681537        5.8537989989        5.9999944626
  H         8.0834720346        5.2212154503        6.0000063822
  N         7.2779010864        7.1736239948        5.9999894557
  H         8.2185550902        7.5501739604        5.9999655913
  H         5.8418945579        4.1306481857        6.0000254692
  O         4.8445548231        7.3377274797        5.9999854714
  H         6.0372827849        7.6108065283        6.0000680654
      10
 i =        5, E =         0.0001187875
  C         4.8047100700        6.0391692268        5.9999849476
  H         3.8069851358        5.5764031414        5.9999763481
  C         5.9312416815        5.2227757755        6.0000015459
  C         7.1899308436        5.8527332280        5.9999949366
  H         8.0890907172        5.2214772804        6.0000058922
  N         7.2705692961        7.1722245307        5.9999912472
  H         8.2245576392        7.5542537584        5.9999638281
  H         5.8423526697        4.1399952901        6.0000265795
  O         4.8486635880        7.3406023187        5.9999885805
  H         6.0335983588        7.5995654499        6.0000660941
      10
 i =        6, E =         0.0031461758
  C         4.8049096820        6.0377939232        5.9999848699
  H         3.8025441978        5.5801272930        5.9999721769
  C         5.9296362611        5.2253023269        6.0000020336
  C         7.1914660544        5.8476063836        5.9999959365
  H         8.0940630217        5.2245113147        6.0000048892
  N         7.2719327012        7.1747512148        5.9999936304
  H         8.2222450795        7.5561375462        5.9999611397
  H         5.8421603251        4.1447558698        6.0000285901
  O         4.8556105827        7.3434871995        5.9999931549
  H         6.0271320945        7.5847269284        6.0000635789
      10
 i =        7, E =         0.0022853371
  C         4.8006965520        6.0386487313        5.9999853647
  H         3.8004989302        5.5854318980        5.9999677870
  C         5.9278877185        5.2293851744        6.0000026659
  C         7.1968429116        5.8519866014        5.9999972062
  H         8.0985156510        5.2273517683        6.0000035609
  N         7.2745162614        7.1687622110        5.9999960820
  H         8.2189916961        7.5579807295        5.9999586028
  H         5.8411279828        4.1454956669        6.0000304562
  O         4.8624043127        7.3420720076        5.9999976436
  H         6.0202179836        7.5720852114        6.0000606308
      10
 i =        8, E =         0.0015790752
  C         4.8016566957        6.0374612256        5.9999870344
  H         3.7971712879        5.5908374726        5.9999637723
  C         5.9282662682        5.2302159079        6.0000038381
  C         7.1986269728        5.8490677502        5.9999988361
  H         8.1023484809        5.2295026343        6.0000016566
  N         7.2779645043        7.1684418361        5.9999983801
  H         8.2181091224        7.5606771489        5.9999567707
  H         5.8398452016        4.1461138830        6.0000314532
  O         4.8649319972        7.3431022045        6.0000009022
  H         6.0127794689        7.5637799369        6.0000573563
      10
 i =        9, E =         0.0016263429
  C         4.8020652862        6.0374264443        5.9999887037
  H         3.7948723911        5.5958361740        5.9999604203
  C         5.9288030592        5.2286318104        6.0000053130
  C         7.2008822230        5.8495362270        6.0000002966
  H         8.1060054180        5.2304122339        5.9999997121
  N         7.2784240876        7.1654660281        6.0000004539
  H         8.2199485157        7.5636032203        5.9999552885
  H         5.8386246718        4.1468022896        6.0000320208
  O         4.8662033277        7.3432474239        6.0000031987
  H         6.0058710197        7.5582381485        6.0000545924
      10
 i =       10, E =         0.0016997004
  C         4.8024189362        6.0359721261        5.9999905432
  H         3.7941616187        5.6015690203        5.9999573608
  C         5.9288654474        5.2283308391        6.0000079048
  C         7.2041064841        5.8482554022        6.0000018004
  H         8.1098456552        5.2301012548        5.9999970474
  N         7.2810939086        7.1653669865        6.0000023258
  H         8.2212257946        7.5649916933        5.9999541661
  H         5.8371850716        4.1452842698        6.0000321114
  O         4.8657506691        7.3431485788        6.0000040711
  H         5.9970464143        7.5561798290        6.0000526691
      10
 i =       11, E =         0.0006225043
  C         4.8034124553        6.0358514932        5.9999914110
  H         3.7935058852        5.6038289868        5.9999560882
  C         5.9300197071        5.2272721150        6.0000103469
  C         7.2050563022        5.8498789023        6.0000026821
  H         8.1121559996        5.2288267107        5.9999949693
  N         7.2820766563        7.1636576217        6.0000033938
  H         8.2229991480        7.5649271876        5.9999540239
  H         5.8363769618        4.1444815008        6.0000316655
  O         4.8654358177        7.3429288811        6.0000039120
  H         5.9906610667        7.5575466008        6.0000515073
      10
 i =       12, E =         0.0320455811
  C         4.8184180379        6.0385429924        5.9999717072
  H         3.8084685888        5.6171061168        5.9999330456
  C         5.9339569281        5.2339048011        5.9999974414
  C         7.2199891253        5.8439539836        5.9999884091
  H         8.1140768383        5.2178917993        6.0000116619
  N         7.3006891055        7.1605502709        5.9999723973
  H         8.2448441283        7.5461751786        5.9999072598
  H         5.8430948183        4.1505016583        6.0000643076
  O         4.8876839539        7.3572572787        5.9999603403
  H         5.8704784756        7.5533159202        6.0001934298
      10
 i =       13, E =         0.1782911663
  C         4.8340744879        6.0404141758        5.9999578359
  H         3.8193411446        5.6348818900        5.9999102308
  C         5.9406899949        5.2364540277        5.9999934865
  C         7.2354283046        5.8435875405        5.9999786516
  H         8.1223903217        5.2049046172        6.0000193645
  N         7.3193494634        7.1528894422        5.9999490426
  H         8.2684898746        7.5299850906        5.9998669472
  H         5.8465029764        4.1532624887        6.0000906386
  O         4.9057276659        7.3687117029        5.9999231973
  H         5.7497057661        7.5541090245        6.0003106048
      10
 i =       14, E =         0.5985253036
  C         4.8497383445        6.0422207177        5.9999441011
  H         3.8302800343        5.6526028517        5.9998874432
  C         5.9474384234        5.2389776757        5.9999895096
  C         7.2508683447        5.8431736869        5.9999688462
  H         8.1306645527        5.1919013219        6.0000270266
  N         7.3379759546        7.1451704567        5.9999257706
  H         8.2920690445        7.5137258094        5.9998267565
  H         5.8499346838        4.1560088265        6.0001168988
  O         4.9238034848        7.3800934934        5.9998861487
  H         5.6289271326        7.5553251601        6.0004274986
      10
 i =       15, E =         1.6730733796
  C         4.8654095959        6.0439602971        5.9999305019
  H         3.8412857839        5.6702645199        5.9998646836
  C         5.9542038182        5.2414753081        5.9999855071
  C         7.2663096941        5.8427145717        5.9999589884
  H         8.1389014699        5.1788857354        6.0000346405
  N         7.3565666772        7.1373957910        5.9999025806
  H         8.3155791317        7.4974017628        5.9997866856
  H         5.8533935878        4.1587399792        6.0001430812
  O         4.9419087600        7.3914004130        5.9998491988
  H         5.5081414812        7.5569616219        6.0005441323
      10
 i =       16, E =         4.4251897300
  C         4.8810882091        6.0456307346        5.9999170367
  H         3.8523587866        5.6878625686        5.9998419523
  C         5.9609877310        5.2439465303        5.9999814753
  C         7.2817527992        5.8422123851        5.9999490743
  H         8.1471030579        5.1658616393        6.0000421989
  N         7.3751198216        7.1295679839        5.9998794716
  H         8.3390177916        7.4810174309        5.9997467329
  H         5.8568832371        4.1614552757        6.0001691789
  O         4.9600408208        7.4026303865        5.9998123516
  H         5.3873477451        7.5590150652        6.0006605274
      10
 i =       17, E =        11.7267266527
  C         4.8967741298        6.0472300006        5.9999037038
  H         3.8634993029        5.7053928468        5.9998192487
  C         5.9677916550        5.2463909912        5.9999774107
  C         7.2971981021        5.8416693478        5.9999391004
  H         8.1552713369        5.1528327577        6.0000496956
  N         7.3936336779        7.1216896239        5.9998564433
  H         8.3623828498        7.4645773240        5.9997068973
  H         5.8604070662        4.1641540690        6.0001951854
  O         4.9781969901        7.4137815077        5.9997756101
  H         5.2665448892        7.5614815314        6.0007767047
      10
 i =       18, E =        29.5404743818
  C         4.9124672838        6.0487562217        5.9998905008
  H         3.8747074621        5.7228513944        5.9997965719
  C         5.9746170182        5.2488083845        5.9999733097
  C         7.3126460387        5.8410876995        5.9999290637
  H         8.1634083527        5.1398027407        6.0000571250
  N         7.4121066418        7.1137633358        5.9998334952
  H         8.3856723088        7.4480859610        5.9996671776
  H         5.8639683818        4.1668357390        6.0002210944
  O         4.9963745972        7.4248520450        5.9997389768
  H         5.1457319149        7.5643564785        6.0008926850
      10
 i =       19, E =        12.3676302142
  C         4.9281675778        6.0502076860        5.9998774249
  H         3.8859832650        5.7402344562        5.9997739203
  C         5.9814651787        5.2511984489        5.9999691690
  C         7.3280970367        5.8404696888        5.9999189614
  H         8.1715161664        5.1267751496        6.0000644822
  N         7.4305372192        7.1057917677        5.9998106270
  H         8.4088843531        7.4315478479        5.9996275734
  H         5.8675703502        4.1694996949        6.0002468998
  O         5.0145709896        7.4358404457        5.9997024538
  H         5.0249078632        7.5676348143        6.0010084883
      10
 i =       20, E =        17.7408393551
  C         4.9310131785        6.0505310318        5.9998751709
  H         3.8880560235        5.7433938221        5.9997697635
  C         5.9827434356        5.2516307281        5.9999684266
  C         7.3309146203        5.8403309234        5.9999171145
  H         8.1729931754        5.1243966790        6.0000658028
  N         7.4339188410        7.1043531292        5.9998064912
  H         8.4131121611        7.4285132638        5.9996203442
  H         5.8682334062        4.1699838942        6.0002515727
  O         5.0105359605        7.3444482034        5.9987701669
  H         5.0101791979        7.6616183251        6.0019551468
