15
Zn(Et)2
 Zn                 0.00019000   -0.35682800   -0.00021600
 C                  1.94928200   -0.35690200    0.28115300
 H                  2.14145400   -0.51014000    1.35247200
 H                  2.37538300   -1.23477100   -0.22365600
 C                  2.67506800    0.91385800   -0.19399800
 H                  2.53461900    1.08249500   -1.26774400
 H                  3.75791600    0.86823800   -0.01548300
 H                  2.30326400    1.80755100    0.31983100
 C                 -1.94904000   -0.35652900   -0.28138000
 H                 -2.14651900   -0.51475700   -1.35064300
 H                 -2.36989500   -1.23396000    0.22944000
 C                 -2.67583000    0.91347000    0.19403800
 H                 -2.52551500    1.08877000    1.26534300
 H                 -3.76017100    0.86210500    0.02644200
 H                 -2.31311300    1.80592500   -0.32840900
75
NHC
 C                 -0.01821300   -0.36652400    0.20192100
 N                 -1.07418200   -0.15345500   -0.63099000
 N                  1.05400400   -0.18655500   -0.61809200
 C                 -2.47427900    0.03426800   -0.17943900
 C                 -0.67160500    0.21253400   -1.91332000
 C                  2.46725800   -0.12888100   -0.15481200
 C                  0.67563900    0.18353900   -1.90837000
 C                 -2.65365300   -0.48054900    1.26187000
 C                 -2.69982000    1.55797900   -0.30662000
 C                 -3.44386200   -0.81024800   -1.02607100
 H                 -1.36247800    0.45692700   -2.70465900
 C                  3.32690400   -0.63937700   -1.32920900
 C                  2.81204100    1.32520500    0.22935300
 C                  2.65088100   -1.00471200    1.10744700
 H                  1.37936000    0.38923300   -2.69842400
 C                 -2.29513600   -1.80120100    1.56129500
 C                 -3.28032400    0.27840200    2.24731200
 C                 -1.87914000    2.40050900    0.45733600
 C                 -3.57829100    2.13729300   -1.21971000
 C                 -4.82138000   -0.67697300   -0.80599700
 C                 -3.00776200   -1.78694800   -1.92132500
 C                  2.97058300   -1.85104600   -1.94030100
 C                  4.42946900    0.05195700   -1.82830100
 C                  1.96242200    2.39619500   -0.04813700
 C                  4.01014000    1.58484100    0.90772600
 C                  3.40665400   -2.17657600    1.11622100
 C                  2.08121400   -0.57634600    2.31545000
 H                 -1.82676100   -2.41567600    0.80006000
 C                 -2.52153000   -2.33228900    2.82320700
 C                 -3.51661400   -0.25569500    3.51766700
 H                 -3.59627200    1.29436800    2.03886600
 H                 -1.16343700    1.96153700    1.14756400
 C                 -1.95623600    3.78129800    0.33237200
 C                 -3.65691100    3.52711900   -1.34981300
 H                 -4.20283100    1.51640000   -1.85171800
 H                 -5.18200700    0.04589500   -0.07981900
 C                 -5.73625000   -1.46616700   -1.49253700
 C                 -3.92460600   -2.58563200   -2.60853600
 H                 -1.94801000   -1.94754300   -2.08321900
 H                  2.10262000   -2.39489300   -1.57883200
 C                  3.70506100   -2.36356600   -3.00226600
 C                  5.17051200   -0.46009900   -2.89681300
 H                  4.72099600    1.00313300   -1.39928900
 H                  1.01462900    2.23457500   -0.54881600
 C                  2.30609500    3.69590400    0.32969900
 C                  4.35856900    2.87869200    1.27865900
 H                  4.67336000    0.76147800    1.15754300
 H                  3.89551200   -2.52534600    0.21495600
 C                  3.56451400   -2.92091500    2.28925300
 C                  2.23148300   -1.31526400    3.48134200
 H                  1.50736300    0.34190300    2.33820300
 H                 -2.22222200   -3.35381900    3.03681700
 C                 -3.13233000   -1.55777100    3.81330700
 H                 -4.00441000    0.35590300    4.27069000
 H                 -1.31199700    4.41185400    0.93770000
 C                 -2.85278600    4.35354200   -0.57349200
 H                 -4.34759000    3.95640700   -2.06914300
 H                 -6.79856000   -1.33947700   -1.30813600
 C                 -5.29069900   -2.42439600   -2.40484700
 H                 -3.56057400   -3.33898400   -3.30044200
 H                  3.40923200   -3.30474300   -3.45533300
 C                  4.81554100   -1.66838500   -3.48550600
 H                  6.02394200    0.09860800   -3.26846400
 H                  1.62402800    4.51124200    0.10781700
 C                  3.50508200    3.94469000    0.98946900
 H                  5.29314500    3.05328500    1.80287800
 H                  4.15945300   -3.82898400    2.26699800
 C                  2.97283800   -2.49883500    3.47342000
 H                  1.76888100   -0.96605500    4.39940300
 H                 -3.31083100   -1.97262000    4.80064300
 H                 -2.91391800    5.43253700   -0.67629400
 H                 -6.00290700   -3.04451200   -2.94008200
 H                  5.39063300   -2.06434600   -4.31667800
 H                  3.77068000    4.95505400    1.28456800
 H                  3.09337400   -3.07671200    4.38479500
90
Zn(Et)2(NHC)
 C                 -0.04022500    0.33124000   -0.08685000
 C                 -0.77148000    2.47115000   -0.21021400
 H                 -1.47642800    3.27802600   -0.30152100
 C                  0.57410100    2.51127700   -0.10487600
 H                  1.23478800    3.35910600   -0.07262600
 C                 -2.52467100    0.59674100   -0.19369100
 C                 -2.53719600   -0.56804000   -1.20239600
 C                 -1.98046500   -0.35564200   -2.47291900
 H                 -1.52056300    0.60114600   -2.70457000
 C                 -2.00634700   -1.34736300   -3.44307300
 H                 -1.56607000   -1.15779700   -4.41703200
 C                 -2.57949500   -2.58737000   -3.15934000
 H                 -2.58911600   -3.37045500   -3.91074500
 C                 -3.10895700   -2.81936400   -1.89654900
 H                 -3.53022800   -3.78876400   -1.64979200
 C                 -3.08741900   -1.81766700   -0.92325800
 H                 -3.48405900   -2.03573700    0.06002000
 C                 -2.91283500    0.17855900    1.23896500
 C                 -2.02465000    0.22090100    2.31006000
 H                 -0.98854400    0.49531000    2.15923200
 C                 -2.44253600   -0.11873800    3.59712900
 H                 -1.72592800   -0.08737100    4.41210200
 C                 -3.75576900   -0.50839100    3.83229800
 H                 -4.07850800   -0.77851900    4.83290800
 C                 -4.65703000   -0.54638400    2.76691100
 H                 -5.68890300   -0.84004600    2.93283300
 C                 -4.24023700   -0.19496500    1.48864000
 H                 -4.96031300   -0.19834500    0.67514600
 C                 -3.50756300    1.72191600   -0.61250400
 C                 -4.15430500    1.75248700   -1.84809400
 H                 -3.99276200    0.96616600   -2.57448100
 C                 -5.03894000    2.78543500   -2.16773100
 H                 -5.53273700    2.78098500   -3.13444600
 C                 -5.29227800    3.80473600   -1.25736000
 H                 -5.97997500    4.60652000   -1.50716600
 C                 -4.66402900    3.77738700   -0.01133700
 H                 -4.86050900    4.55658700    0.71841300
 C                 -3.79381000    2.74245900    0.30751800
 H                 -3.33367500    2.72412900    1.29102000
 C                  2.41931300    0.73751100    0.11898000
 C                  3.33422600    1.96338200    0.37221200
 C                  3.56730200    2.85508200   -0.68627600
 H                  3.10338800    2.67587200   -1.65189600
 C                  4.38972500    3.96272500   -0.52629700
 H                  4.54569900    4.63999600   -1.36009200
 C                  5.02439200    4.19237500    0.69591000
 H                  5.67575800    5.05141200    0.82216900
 C                  4.82548400    3.30040300    1.74286600
 H                  5.32583200    3.45370600    2.69392300
 C                  3.98667500    2.19430800    1.58268600
 H                  3.86516700    1.51051700    2.41338000
 C                  2.91850900    0.10197500   -1.19277000
 C                  4.26709700   -0.27168600   -1.27683500
 H                  4.91603100   -0.14097500   -0.41544500
 C                  4.79391300   -0.79058200   -2.45272400
 H                  5.83924200   -1.08073300   -2.49043800
 C                  3.98363000   -0.92753300   -3.58147200
 H                  4.39156500   -1.33098900   -4.50291100
 C                  2.65121700   -0.53917600   -3.51299200
 H                  2.00674100   -0.63990900   -4.38079100
 C                  2.12221700   -0.02820900   -2.32675500
 H                  1.07676600    0.25204300   -2.30145800
 C                  2.41001000   -0.22766300    1.32059100
 C                  2.95345900   -1.50907200    1.28274600
 H                  3.38755700   -1.89562700    0.37011900
 C                  2.92382000   -2.32887400    2.41394700
 H                  3.34088900   -3.32918500    2.35370300
 C                  2.35200200   -1.87883900    3.59601200
 H                  2.32268900   -2.52040700    4.47088100
 C                  1.78890400   -0.60196300    3.64010500
 H                  1.32048400   -0.24170700    4.55088100
 C                  1.81215200    0.20691000    2.51340400
 H                  1.36170600    1.19502200    2.55939700
 C                  0.60902100   -2.89219100   -1.59338400
 H                 -0.14636700   -3.68980700   -1.68109900
 H                  0.54644900   -2.32569400   -2.53091600
 C                  1.99704500   -3.54123700   -1.48322600
 H                  2.79185400   -2.78849400   -1.54287400
 H                  2.20212900   -4.27335700   -2.28079000
 H                  2.12432200   -4.06792800   -0.52750900
 C                 -0.67765500   -2.68041000    1.70119400
 H                 -0.29694000   -2.15488500    2.58676600
 H                 -1.77246200   -2.58467800    1.75337000
 C                 -0.29116300   -4.16541300    1.77197000
 H                 -0.66119700   -4.71695800    0.89723200
 H                 -0.67586700   -4.68458500    2.66507200
 H                  0.79959400   -4.28992700    1.77705600
 N                 -1.13192800    1.13403900   -0.19834600
 N                  1.00686800    1.19731600   -0.03405600
 Zn                -0.00443300   -1.81420900    0.00474800
87
Zn(NHC-Itr)(C6F5)
 Zn                -0.78965298   -0.08034932   -0.47793805
 C                  1.14529993    0.13766350   -0.26728202
 N                  1.81564943    1.29471278   -0.12797801
 N                  2.06455534   -0.84723511   -0.21109500
 C                  1.18772386    2.63686752    0.09095298
 C                  3.15809354    1.03712635    0.07333101
 C                  1.68839596   -2.30087127   -0.17285301
 C                  3.31649911   -0.30635258    0.00657802
 C                 -0.25367513    2.63111690   -0.45936304
 C                  1.29029275    2.83279856    1.61655098
 C                  1.90984141    3.71314282   -0.73659401
 H                  3.88161020    1.81956666    0.23242902
 C                  2.92005732   -3.13749975   -0.58239799
 C                  1.28140209   -2.66028544    1.26978899
 C                  0.51542705   -2.47521577   -1.16478402
 H                  4.20935036   -0.90374520    0.07375103
 C                 -0.47009194    2.24248181   -1.79699404
 C                 -1.32992836    3.14898845    0.26128294
 C                  0.50486008    2.03814323    2.46196397
 C                  2.25038839    3.66690497    2.18937299
 C                  1.59122384    5.05455969   -0.49456102
 C                  2.75123656    3.40794118   -1.80689700
 C                  3.93818539   -3.34533132    0.36016503
 C                  3.06525858   -3.69985869   -1.85117498
 C                  1.13534866   -4.01342850    1.60501499
 C                  1.05360167   -1.70277254    2.25721498
 C                  0.58238281   -1.86406874   -2.43269002
 C                 -0.60767663   -3.25141325   -0.87046804
 H                  0.36662921    1.90881416   -2.40464103
 C                 -1.73166598    2.34055927   -2.37460106
 C                 -2.59406240    3.25318691   -0.32431508
 H                 -1.19118552    3.49015451    1.28024794
 H                 -0.24070063    1.36228991    2.05375496
 C                  0.65084503    2.10182229    3.84231097
 C                  2.40183434    3.72876304    3.57511600
 H                  2.89142914    4.27596624    1.56207500
 H                  0.90653072    5.31290240    0.30784797
 C                  2.13624442    6.06581792   -1.27596601
 C                  3.29768314    4.42304041   -2.59278499
 H                  2.98756100    2.37802028   -2.05192299
 H                  3.83007521   -2.95593136    1.36843403
 C                  5.08147170   -4.06347183    0.03137505
 C                  4.20897289   -4.42934220   -2.17905497
 H                  2.28547055   -3.59874302   -2.59599300
 H                  1.34746300   -4.77772541    0.86302699
 C                  0.73433880   -4.39268167    2.87958598
 C                  0.65902481   -2.08346170    3.54079398
 H                  1.20113122   -0.64620047    2.06550398
 H                  1.44522056   -1.25827938   -2.69427101
 C                 -0.43212910   -2.03493718   -3.36739404
 C                 -1.62062954   -3.43220268   -1.81557305
 H                 -0.71505344   -3.71476629    0.10189796
 H                 -1.87707983    2.03221421   -3.40411007
 C                 -2.80233320    2.84502982   -1.63499808
 H                 -3.41547958    3.65908456    0.25683691
 H                  0.01718228    1.48949903    4.47610596
 C                  1.60165566    2.95246470    4.40574099
 H                  3.15103806    4.38890436    3.99973501
 H                  1.88289298    7.10004281   -1.06757202
 C                  2.99846857    5.75410328   -2.32702800
 H                  3.95583726    4.16435869   -3.41592498
 H                  5.85553076   -4.21016450    0.77769706
 C                  5.22271796   -4.60751277   -1.24477395
 H                  4.29725509   -4.86575217   -3.16857296
 H                  0.62123925   -5.44617972    3.11356198
 C                  0.48847838   -3.42540578    3.85483498
 H                  0.49302648   -1.31931677    4.29317297
 H                 -0.35492329   -1.55318014   -4.33662604
 C                 -1.53863377   -2.82957964   -3.06280205
 H                 -2.48287828   -4.03818204   -1.55769207
 H                 -3.78556823    2.92413140   -2.08616810
 H                  1.71797762    3.00670675    5.48307899
 H                  3.42392425    6.54345746   -2.93757899
 H                  6.11040720   -5.17626240   -1.50145094
 H                  0.18044749   -3.72024690    4.85247197
 H                 -2.33284271   -2.95940498   -3.78962507
 C                 -2.67748487   -0.33710812   -0.16609707
 C                 -3.65958881   -0.44667354   -1.13690609
 C                 -3.11480188   -0.37422831    1.14743692
 C                 -5.00761876   -0.59027411   -0.83400211
 F                 -3.32314981   -0.40181440   -2.44031508
 C                 -4.44773382   -0.51532987    1.50812590
 F                 -2.20664694   -0.25752292    2.14345693
 C                 -5.40122176   -0.62493328    0.50094788
 F                 -5.92163470   -0.68817550   -1.79714012
 F                 -4.82077783   -0.54184403    2.78537089
 F                 -6.68370571   -0.75993082    0.81144886
88
Zn(NHC-Itr)(C6F5)(F)
 Zn                -0.41989800   -0.80171500   -1.11158800
 C                  0.65988800    0.37647500    0.19731900
 N                  0.32567900    1.56673700    0.74615700
 N                  1.82585500    0.03112700    0.80171600
 C                 -0.76430000    2.51036500    0.34820700
 C                  1.28129900    1.97070500    1.66936300
 C                  2.81521700   -0.95610700    0.26693700
 C                  2.22925000    1.01713100    1.69022700
 C                 -1.86873800    1.80782300   -0.47396600
 C                 -1.30725200    3.06833100    1.68113500
 C                 -0.15506300    3.59419900   -0.56659700
 H                  1.20229800    2.89617900    2.21450500
 C                  3.67936800   -0.08711500   -0.67301700
 C                  3.58596600   -1.61221000    1.42650400
 C                  2.12183900   -2.14170000   -0.42036700
 H                  3.14909900    0.95715200    2.24670800
 C                 -1.61060500    1.49857500   -1.81913300
 C                 -3.14563200    1.55253700    0.02773400
 C                 -1.66801800    2.15033100    2.67865800
 C                 -1.41826500    4.42908500    1.95949600
 C                 -1.01227100    4.55267800   -1.12423000
 C                  1.18776900    3.60747100   -0.94187000
 C                  3.14320000    0.31868300   -1.90309700
 C                  4.89006300    0.46447700   -0.25013700
 C                  3.04587500   -1.70969000    2.71066000
 C                  4.78548100   -2.27918100    1.15653900
 C                  2.62734300   -2.69524400   -1.59772600
 C                  1.06729200   -2.79293000    0.22900000
 H                 -0.63929500    1.70964300   -2.25516800
 C                 -2.58769600    0.92213200   -2.62437900
 C                 -4.13140600    0.99339800   -0.78562500
 H                 -3.39650900    1.79570400    1.05191300
 H                 -1.56206900    1.08608200    2.49178800
 C                 -2.15675000    2.58257000    3.90451200
 C                 -1.90742800    4.86504900    3.19332400
 H                 -1.11288000    5.16728900    1.22839300
 H                 -2.07317100    4.52281800   -0.89202500
 C                 -0.53250200    5.51909400   -1.99819100
 C                  1.66938500    4.57183800   -1.82947500
 H                  1.88137900    2.85720200   -0.58064100
 H                  2.18446100   -0.06755500   -2.25344500
 C                  3.82761900    1.23404100   -2.69689600
 C                  5.57206900    1.38284100   -1.04778300
 H                  5.31153400    0.19071500    0.71125700
 H                  2.09303000   -1.24483600    2.94073700
 C                  3.70809200   -2.41846400    3.71145200
 C                  5.44921200   -2.98408900    2.15465200
 H                  5.20112500   -2.25777100    0.15393300
 H                  3.45377600   -2.22118200   -2.11363600
 C                  2.06646200   -3.85016500   -2.13279200
 C                  0.50275100   -3.94561700   -0.31066400
 H                  0.67849900   -2.40091300    1.16361300
 H                 -2.33978800    0.65470500   -3.64540500
 C                 -3.85846800    0.67434700   -2.11001800
 H                 -5.11577200    0.80358100   -0.36898300
 H                 -2.43699300    1.85124300    4.65597400
 C                 -2.28435100    3.94738900    4.16618400
 H                 -1.98681300    5.93024400    3.38694600
 H                 -1.21756700    6.25016800   -2.41613500
 C                  0.81723600    5.53576400   -2.35311600
 H                  2.71705900    4.54895900   -2.11305400
 H                  3.39572600    1.53164000   -3.64748900
 C                  5.04463000    1.76924600   -2.27581300
 H                  6.51286300    1.79845100   -0.69995100
 H                  3.26720500   -2.48003000    4.70147900
 C                  4.91645700   -3.05229600    3.44098800
 H                  6.38191000   -3.48876500    1.92299800
 H                  2.46032700   -4.25232700   -3.06040200
 C                  0.99817500   -4.47636300   -1.49733700
 H                 -0.33510900   -4.41495500    0.19444200
 H                 -4.62223700    0.22344700   -2.73539400
 H                 -2.66670800    4.28874400    5.12306800
 H                  1.19147400    6.28289300   -3.04586100
 H                  5.57560800    2.48251500   -2.89920100
 H                  5.43305000   -3.60380400    4.22005200
 H                  0.55120800   -5.36718100   -1.92627000
 C                 -2.04623600   -1.75392900   -0.44846400
 C                 -2.96044800   -2.38720000   -1.27376100
 C                 -2.39233600   -1.72788400    0.88942000
 C                 -4.15265500   -2.94072700   -0.81947600
 F                 -2.72672100   -2.47020100   -2.59777100
 C                 -3.56691900   -2.25894400    1.40596800
 F                 -1.55646400   -1.14434700    1.79350100
 C                 -4.45845100   -2.87088900    0.53450800
 F                 -5.01411900   -3.52818300   -1.65900000
 F                 -3.85366800   -2.18735100    2.71322100
 F                 -5.59917600   -3.39160400    0.99521000
 F                  0.32376800   -0.72483000   -2.80686900
83
Zn(NHC-Itr)(Et)
 Zn                 0.04429200   -1.59868000    0.47325800
 C                 -0.03938500    0.29819100   -0.08910800
 C                  0.27525300   -3.46109500    0.94327800
 N                  1.01441100    1.10525500   -0.31648300
 N                 -1.13794300    1.02368400   -0.36973000
 H                  0.73235700   -3.50277300    1.93865800
 H                 -0.71010200   -3.93109900    1.03226500
 C                  1.14046400   -4.21789200   -0.07758800
 C                  0.57991400    2.34731700   -0.73308100
 C                  2.41137000    0.65585800   -0.00844500
 C                 -0.77659700    2.29466900   -0.77087600
 C                 -2.51174500    0.43395900   -0.25530200
 H                  0.67408700   -4.22720200   -1.06868800
 H                  1.29401600   -5.26100100    0.22185500
 H                  2.13030500   -3.76203000   -0.19612600
 H                  1.25464200    3.15354900   -0.96637500
 C                  2.34506100    0.23383700    1.47811000
 C                  2.80411300   -0.49984900   -0.94987900
 C                  3.38863600    1.81601400   -0.26925200
 H                 -1.49500700    3.04350500   -1.05728200
 C                 -3.52962800    1.41645100   -0.86221500
 C                 -2.85942700    0.22171800    1.23222700
 C                 -2.42882400   -0.90178900   -1.03021400
 C                  1.80172100    1.14726500    2.39659300
 C                  2.71973100   -1.02677900    1.94216300
 C                  1.96973800   -1.00611200   -1.94830100
 C                  4.09715600   -1.02758000   -0.83386400
 C                  3.57648000    2.24184200   -1.59207500
 C                  4.13101500    2.42407800    0.74196800
 C                 -3.82108100    2.59426900   -0.15880000
 C                 -4.19331200    1.17313800   -2.06397600
 C                 -4.17751300   -0.13203400    1.55064100
 C                 -1.94056600    0.36060300    2.27338500
 C                 -1.83313200   -0.90346400   -2.30366500
 C                 -2.87731400   -2.11582100   -0.50975800
 H                  1.48740500    2.13066000    2.05655400
 C                  1.65249800    0.81505800    3.73532400
 C                  2.56472100   -1.36417500    3.29046600
 H                  3.12106600   -1.77023700    1.26403400
 H                  0.98594700   -0.58722100   -2.12459700
 C                  2.39716100   -2.04564000   -2.77721600
 C                  4.52044300   -2.06533400   -1.65415500
 H                  4.78350600   -0.61318200   -0.10095200
 H                  3.04086000    1.75049400   -2.39998500
 C                  4.45355300    3.27662500   -1.88917100
 C                  5.02226800    3.45628700    0.44192700
 H                  4.03840000    2.09514600    1.77009200
 H                 -3.34540300    2.78132800    0.80016900
 C                 -4.72510800    3.52005500   -0.66363800
 C                 -5.11041900    2.09831600   -2.56631900
 H                 -4.02248200    0.25549700   -2.61398600
 H                 -4.91960300   -0.20609900    0.76092300
 C                 -4.55196400   -0.38183100    2.86485200
 C                 -2.31640500    0.10976000    3.59494700
 H                 -0.92473600    0.69235700    2.09193300
 H                 -1.47409500    0.02892800   -2.73172000
 C                 -1.68795800   -2.08002700   -3.02510800
 C                 -2.73394800   -3.30091700   -1.23817700
 H                 -3.32807200   -2.16105800    0.47412400
 H                  1.23886600    1.54277600    4.42664400
 C                  2.03479300   -0.44958600    4.18974300
 H                  2.85699100   -2.35407100    3.62545300
 H                  1.72615100   -2.42328000   -3.54206200
 C                  3.66641300   -2.58683100   -2.62722400
 H                  5.52313400   -2.46373500   -1.53897200
 H                  4.58309100    3.59324700   -2.91896600
 C                  5.18031400    3.89119100   -0.86827100
 H                  5.59504200    3.91374000    1.24197600
 H                 -4.93479800    4.42710600   -0.10607400
 C                 -5.37315600    3.27500100   -1.87514300
 H                 -5.62169800    1.88831800   -3.50006200
 H                 -5.57834200   -0.65645600    3.08521300
 C                 -3.61789900   -0.27005700    3.89559600
 H                 -1.57962200    0.22286500    4.38400400
 H                 -1.22646900   -2.05351200   -4.00727300
 C                 -2.13722900   -3.29017700   -2.49091200
 H                 -3.08266800   -4.23320100   -0.80662600
 H                  1.91602800   -0.71337200    5.23546900
 H                  3.99755400   -3.39652700   -3.26871700
 H                  5.87469500    4.69229600   -1.09907600
 H                 -6.08749000    3.99202000   -2.26620300
 H                 -3.90955300   -0.46406500    4.92235700
 H                 -2.01928400   -4.21295900   -3.04913400
84
Zn(NHC-Itr)(Et)
 Zn                 0.09464700   -1.77700400    0.37198100
 C                 -0.00983900    0.28922600   -0.06770300
 C                  0.85535700   -3.25482000   -0.71502400
 N                  1.04344400    1.13532000   -0.18973500
 N                 -1.09881100    1.05540200   -0.32430000
 H                  0.46933600   -3.19436300   -1.74141700
 H                  1.94140500   -3.11537700   -0.80856500
 C                  0.56012800   -4.64082600   -0.12568200
 C                  0.61971600    2.41183500   -0.51206800
 C                  2.45122300    0.67689000    0.01257100
 C                 -0.72861500    2.36154800   -0.59700000
 C                 -2.49463300    0.51910400   -0.23963800
 H                  0.94220100   -4.72842000    0.89821700
 H                  1.00108200   -5.45979100   -0.71346700
 H                 -0.51910700   -4.82606000   -0.06778100
 H                  1.28990400    3.24238500   -0.64700500
 C                  2.43797400   -0.10245300    1.34401500
 C                  2.90124100   -0.17815700   -1.18799900
 C                  3.38250500    1.91086500    0.06398700
 H                 -1.43051700    3.13959700   -0.83785000
 C                 -3.46135400    1.52605500   -0.91265400
 C                 -2.92934600    0.39213600    1.23370500
 C                 -2.46402100   -0.83740000   -0.96763200
 C                  1.82354300    0.49288300    2.45624700
 C                  2.96370200   -1.38498700    1.48603800
 C                  2.05304800   -0.54288400   -2.23049800
 C                  4.24414200   -0.57135400   -1.25236000
 C                  3.64350700    2.60539400   -1.12661200
 C                  4.00941200    2.34382300    1.23156300
 C                 -3.74848600    2.72545500   -0.24230000
 C                 -4.10691400    1.28312200   -2.12443100
 C                 -4.28400000    0.15035500    1.50027800
 C                 -2.04967700    0.50778100    2.30380600
 C                 -1.94446000   -0.89445900   -2.27058400
 C                 -2.89800700   -2.02033700   -0.37223300
 H                  1.38486600    1.48293600    2.36129900
 C                  1.73957900   -0.17288700    3.66908300
 C                  2.87818800   -2.05631300    2.70781500
 H                  3.40955100   -1.89269100    0.64035700
 H                  1.00782500   -0.26021600   -2.22035500
 C                  2.52556400   -1.30540900   -3.29849600
 C                  4.71499000   -1.33811800   -2.31047300
 H                  4.92962500   -0.26742300   -0.46617600
 H                  3.19998700    2.25969500   -2.05606700
 C                  4.47107100    3.72063900   -1.14083800
 C                  4.85094500    3.45828700    1.21780900
 H                  3.86199500    1.80928200    2.16196100
 H                 -3.30324000    2.91297100    0.73054600
 C                 -4.60962200    3.66828800   -0.78788900
 C                 -4.98329500    2.22406000   -2.67012200
 H                 -3.95437100    0.34954900   -2.65089400
 H                 -4.98669100    0.06156400    0.67640200
 C                 -4.74351100    0.02524500    2.80425700
 C                 -2.51116600    0.39234800    3.61490900
 H                 -0.99028800    0.65208600    2.14089700
 H                 -1.56008500    0.01034800   -2.73475600
 C                 -1.90342800   -2.09032600   -2.97221800
 C                 -2.85109700   -3.22570300   -1.07757700
 H                 -3.23298000   -2.02347800    0.65755000
 H                  1.23958000    0.30026000    4.50818000
 C                  2.26737300   -1.45706300    3.79947100
 H                  3.26683200   -3.06648100    2.78420900
 H                  1.83947800   -1.59118200   -4.08955600
 C                  3.85286000   -1.71228200   -3.34148900
 H                  5.75767700   -1.63936300   -2.33247000
 H                  4.65283400    4.24253000   -2.07524900
 C                  5.07912800    4.15525700    0.03760300
 H                  5.33150300    3.77240600    2.13911900
 H                 -4.80918200    4.58854500   -0.24763300
 C                 -5.23114500    3.42236400   -2.01281300
 H                 -5.47686300    2.00559100   -3.61204700
 H                 -5.79616300   -0.16762800    2.98698200
 C                 -3.85385600    0.15178700    3.87236100
 H                 -1.80086800    0.46494500    4.43197100
 H                 -1.49378800   -2.11126000   -3.97750100
 C                 -2.36653600   -3.26509100   -2.37740800
 H                 -3.17341100   -4.13774800   -0.58615200
 H                  2.17491800   -1.99284000    4.73815100
 H                  4.21635400   -2.31420200   -4.16827800
 H                  5.73392500    5.02097000    0.02901700
 H                 -5.91316200    4.15198100   -2.43806100
 H                 -4.20803300    0.05329500    4.89384200
 H                 -2.31644100   -4.20640700   -2.91507100
 F                 -0.67229300   -1.97046900    2.05731100
65
Zn(NHC-Adamanthyl)(Et)
 Zn                -0.02551700   -0.14818900    1.71789000
 C                  0.03197000   -0.00366100   -0.29282300
 C                  0.06255400   -0.27826800    3.68652000
 N                  1.15947800    0.06158600   -1.06074700
 N                 -1.01240000    0.06224300   -1.16920000
 H                  0.65103700   -1.17644900    3.91393600
 H                  0.66276400    0.57491500    4.02816600
 C                 -1.28329900   -0.31791900    4.43165200
 C                  0.81666500    0.17113900   -2.39745900
 C                  2.59969300    0.02038000   -0.63543900
 C                 -0.53695300    0.17148000   -2.46510200
 C                 -2.48825300    0.02101100   -0.89238200
 H                 -1.87951500    0.58267400    4.24634400
 H                 -1.13995500   -0.39142000    5.51833000
 H                 -1.89245400   -1.17702500    4.12843800
 H                  1.54449200    0.23889100   -3.18807700
 C                  2.74275500   -0.11835400    0.88874400
 C                  3.29445600    1.33040600   -1.08428600
 C                  3.28749800   -1.19479900   -1.30714200
 H                 -1.18159900    0.23836800   -3.32492500
 C                 -3.13468400    1.33386400   -1.40019900
 C                 -2.78317500   -0.12636600    0.60821900
 C                 -3.10455300   -1.18879200   -1.63961800
 H                  2.26700100   -1.04653700    1.23045900
 H                  2.26445900    0.73120500    1.39196600
 C                  4.23866600   -0.15366200    1.28419700
 C                  4.78970800    1.28636100   -0.70039900
 H                  2.79847600    2.18615500   -0.60933000
 H                  3.19593300    1.45803200   -2.16783400
 H                  2.78567100   -2.11659500   -0.98732600
 H                  3.18952200   -1.13223700   -2.39634200
 C                  4.78289600   -1.22658400   -0.92205300
 H                 -2.92772900    1.46990200   -2.46734900
 H                 -2.68975800    2.18571400   -0.87085500
 C                 -4.66114500    1.28615400   -1.16884000
 C                 -4.31108100   -0.16909700    0.85048200
 H                 -2.33574200   -1.05374400    0.98754600
 H                 -2.36465900    0.72404700    1.16156000
 H                 -2.89984400   -1.11561600   -2.71321600
 C                 -4.63078300   -1.22495300   -1.40658400
 H                 -2.63587200   -2.11363100   -1.28101900
 H                  4.30266800   -0.24983500    2.37398600
 C                  4.92107400    1.15191400    0.82953300
 C                  4.91620200   -1.36206900    0.60766600
 H                  5.26359700    2.21648100   -1.03514200
 C                  5.46178500    0.07893700   -1.38828000
 H                  5.25176300   -2.08638300   -1.41466900
 H                 -5.10003200    2.21867000   -1.54242600
 C                 -4.94623400    1.13954200    0.33905700
 C                 -5.26007800    0.08389200   -1.92951200
 H                 -4.48463200   -0.27302900    1.92752200
 C                 -4.91591600   -1.37267800    0.10089200
 H                 -5.04650000   -2.08119600   -1.95050500
 H                  4.46173700    2.01549900    1.32819300
 H                  5.97897900    1.13918400    1.11874300
 H                  5.97449000   -1.40351900    0.89276600
 H                  4.45426300   -2.29786800    0.94863800
 H                  6.52980300    0.05405800   -1.13950100
 H                  5.38859000    0.17540200   -2.47941300
 H                 -6.02796500    1.12431100    0.51967600
 H                 -4.54069000    1.99946600    0.88814600
 H                 -6.34781400    0.05767300   -1.79029700
 H                 -5.07691900    0.18783700   -3.00697000
 H                 -4.48849100   -2.31073000    0.47883300
 H                 -5.99721200   -1.41781700    0.27903100
66                 
Zn(NHC-Adamanthyl)(Et)(F)
 Zn                -0.10948800   -0.27798300    1.74069500
 C                  0.03512200   -0.05006300   -0.33718500
 C                 -0.10811200   -1.82357400    3.02286000
 N                  1.16170600    0.04458100   -1.10484300
 N                 -1.00104600    0.03548400   -1.22393500
 H                 -0.15570900   -2.76733700    2.46003600
 H                  0.87048200   -1.82780400    3.52578100
 C                 -1.22505600   -1.79510900    4.08418400
 C                  0.82794500    0.18533100   -2.44620200
 C                  2.59401200    0.02077500   -0.66773200
 C                 -0.52349700    0.18069700   -2.52048900
 C                 -2.47256000    0.01618200   -0.94406400
 H                 -1.19267300   -0.87393500    4.67895700
 H                 -1.16386800   -2.63730300    4.79126200
 H                 -2.22180200   -1.83858500    3.62609700
 H                  1.56014900    0.27712400   -3.23052600
 C                  2.72373200   -0.09683100    0.86087300
 C                  3.28455900    1.33268000   -1.12040400
 C                  3.30322200   -1.19112400   -1.32231000
 H                 -1.16593300    0.27043100   -3.38020600
 C                 -3.09165600    1.35834600   -1.41050500
 C                 -2.77029300   -0.16533300    0.55533900
 C                 -3.12169000   -1.15402600   -1.72496600
 H                  2.24744400   -1.02179600    1.20737600
 H                  2.22693800    0.75342900    1.34368400
 C                  4.21513800   -0.11859200    1.26909500
 C                  4.77619200    1.30740600   -0.72103400
 H                  2.77460400    2.18618800   -0.65721900
 H                  3.19907800    1.45257700   -2.20636000
 H                  2.80674200   -2.11558300   -1.00159400
 H                  3.21518000   -1.13689200   -2.41365400
 C                  4.79439400   -1.20742400   -0.92141300
 H                 -2.88287200    1.52186100   -2.47406400
 H                 -2.62440100    2.18124700   -0.85615200
 C                 -4.61811000    1.34266500   -1.17843400
 C                 -4.29858200   -0.17993100    0.79504700
 H                 -2.34445300   -1.11253200    0.91046300
 H                 -2.32602500    0.65725800    1.12833100
 H                 -2.91550800   -1.05667200   -2.79701500
 C                 -4.64820000   -1.16034800   -1.49176900
 H                 -2.67638200   -2.10034300   -1.39291900
 H                  4.27086200   -0.20471900    2.36062600
 C                  4.89475900    1.18704400    0.81121800
 C                  4.91162800   -1.32694600    0.61139300
 H                  5.24603100    2.23901000   -1.05938500
 C                  5.46699600    0.10036000   -1.39112200
 H                  5.27866000   -2.06707100   -1.40076000
 H                 -5.03600500    2.29649600   -1.52302700
 C                 -4.90551700    1.15725300    0.32496000
 C                 -5.24687400    0.17860500   -1.97367300
 H                 -4.47549200   -0.31119800    1.86897400
 C                 -4.93591600   -1.34456900    0.01161200
 H                 -5.08744300   -1.98933100   -2.06026000
 H                  4.42262000    2.05053400    1.29740100
 H                  5.95093400    1.18553900    1.10984600
 H                  5.96786500   -1.35892700    0.90794600
 H                  4.45193200   -2.26304600    0.95491900
 H                  6.53322000    0.08720100   -1.13125100
 H                  5.40391800    0.18687800   -2.48421300
 H                 -5.98801600    1.16250500    0.50632000
 H                 -4.47746800    1.98944700    0.89842200
 H                 -6.33544000    0.17382300   -1.83370800
 H                 -5.06184300    0.31070600   -3.04822000
 H                 -4.53068800   -2.30369800    0.36031000
 H                 -6.01882300   -1.36896000    0.18878800
 F                 -0.30672500    1.53611400    2.36425200



