      95
 i =       74, E =     -2593.8076229283
 Hf         0.0194559461       -0.0151974260        0.0134999768
 Hf         2.5999154110        2.5228498687        0.0805970383
 Hf         2.6132609643       -0.0049489915        2.5881951740
 Hf         0.0715881413        2.5314422200        2.6148212436
  O         1.3856452858        1.0497253554        1.3853198673
  O         3.9922604328        1.4843984026        1.2097251075
  O         1.2271083731        3.5957287063        1.2265177735
  O         3.8422751609        4.0132100054        1.4718300981
  O         1.2070708066        1.4882606444        3.9971874503
  O         3.7716045974        1.1257856456        3.7716692269
  O         1.4723673149        4.0137933540        3.8410124028
  O         4.0783506989        3.6030830020        4.0759005011
 Hf         5.1733864262       -0.0286761801        0.0503354220
 Hf         7.7275633004        2.5414111466        0.0454207358
 Hf         7.7229107794       -0.0024350661        2.6223401515
 Hf         5.1580869702        2.5562287580        2.6084855029
  O         6.4668206934        1.0565302550        1.4578829693
  O         9.0835063456        1.5413971833        1.2142842379
  O         6.3077713548        3.5835559654        1.1446667240
  O         8.9109366821        4.0794409170        1.3058740097
  O         6.2959439239        1.4713792647        4.0864801214
  O         8.9145058528        1.1244613490        3.7768612394
  O         6.5449250870        4.0084362204        3.7624251799
  O         9.1546839070        3.6692469526        3.9243708446
 Hf         0.0452686957        5.1329370536        0.0452861575
 Hf         2.6075777107        7.6778668573        0.0252221608
 Hf         2.5843259454        5.1015107933        2.5826515757
 Hf         0.0361441089        7.6886148009        2.6074985969
  O         1.3768102182        6.1405192686        1.3787046048
  O         3.9881236547        6.6184337023        1.1505313347
  O         1.2274642927        8.6730801837        1.2175158387
  O         3.8352589572        9.1552628646        1.3906192628
  O         1.1534082028        6.6211055025        3.9917169278
  O         3.7683080229        6.2054618405        3.7625873056
  O         1.3856675619        9.1552539105        3.7790947136
  O         3.9981496717        8.7443126972        3.9956468221
 Hf         5.1542411198        5.1125465157        0.0530990543
 Hf         7.7176415550        7.6722005308        0.0280404409
 Hf         7.7502943263        5.1050107728        2.5845552420
 Hf         5.1638402416        7.6464264072        2.6032251576
  O         6.4550470332        6.1383063982        1.4666950817
  O         9.0768893892        6.6273215970        1.2319716636
  O         6.3029345127        8.6744891756        1.1589426305
  O         8.9181367689        9.1727174420        1.3955807197
  O         6.2710035735        6.6124278256        4.0635968450
  O         8.8427159722        6.2157584594        3.8412728792
  O         6.5247291737        9.0926929360        3.7604521326
  O         9.0899480182        8.7500043679        4.0024165733
 Hf         0.0600018184       -0.0126602882        5.1596132054
 Hf         2.6192350854        2.5568246621        5.1604201104
 Hf         2.6276642969        0.0016331369        7.7184211377
 Hf         0.0343476779        2.5496168661        7.7047866543
  O         1.4578201050        1.0672860016        6.4685225233
  O         1.1569431614        3.5965113008        6.3068923059
  O         3.7654060821        4.0123910398        6.5438688630
  O         1.2242108067        1.5432259663        9.0777564227
  O         3.8399216852        1.0657925568        8.9122579196
  O         1.3026681846        4.0809615164        8.9096205032
  O         3.9178668078        3.6091322998        9.1553636731
 Hf         5.1515439115        0.0075808662        5.1502193694
 Hf         7.7263624028        2.5806283331        5.1262624690
 Hf         7.6135813474        0.0758164623        7.6169649785
 Hf         5.1401511861        2.5717270977        7.7394032721
  O         4.0847167819        1.4711724587        6.2955619693
  O         9.0742053380        1.4914119906        6.3153191617
  O         6.2991022181        3.5264505509        6.2921035922
  O         8.8955710069        4.0749140677        6.4423905972
  O         6.3714769521        1.4910997466        9.0670928842
  O         8.9226350605        0.9900841193        8.9102789434
  O         6.3822999406        4.0827901270        8.8373050602
  O         8.9933403706        3.5789550155        9.0004094861
 Hf         0.0548001805        5.1267564953        5.1545831633
 Hf         2.6107174865        7.6605745536        5.1546957968
 Hf         2.5695293282        5.1011263889        7.7385518376
 Hf         0.0377938803        7.6901532681        7.7013326156
  O         1.4703498642        6.1988149299        6.4643043345
  O         4.0789790401        6.6195035807        6.2274872450
  O         1.1650461341        8.7312247602        6.2920149049
  O         3.7611854796        9.0882616250        6.5257079201
  O         1.2302457967        6.6279425851        9.0767742673
  O         3.8382925758        6.2034723561        8.8333912519
  O         1.3977889789        9.1728442135        8.9128203210
  O         4.0019655387        8.7349965549        9.0904208420
 Hf         5.1512990616        5.1048959341        5.1483238748
 Hf         7.7109586931        7.6597254317        5.1590569601
 Hf         7.7162624487        5.0783094016        7.7192064438
 Hf         5.1591623556        7.6521170331        7.7052509366
  O         6.5428151320        6.2108402715        6.5412429176
  O         9.1554090952        6.6284658229        6.3042246921
  O         6.3100512285        8.8208230106        6.3090730810
  O         8.9021827234        9.1619192759        6.5386105681
  O         6.3047877886        6.6268619102        9.1546911503
  O         8.9162461105        6.1393458339        8.9181555704
  O         6.5372023811        9.1607869356        8.8995225942
  O         9.1632188297        8.6518179821        9.1606905172
