20
cod_m06l_1.log
C          1.16638       -1.24778        0.47487
C         -0.07181       -1.66616        0.21353
C         -1.16638        1.24781        0.47486
C          0.07180        1.66619        0.21349
C          1.91315       -0.05930       -0.03647
H          1.74080       -1.85424        1.17062
C         -1.10270       -1.05972       -0.69161
H         -0.39672       -2.56008        0.73950
C         -1.91316        0.05931       -0.03642
H         -1.74079        1.85430        1.17061
C          1.10268        1.05973       -0.69165
H          0.39672        2.56013        0.73942
H          2.68447       -0.39829       -0.73744
H          2.47669        0.36243        0.80202
H         -0.65670       -0.70547       -1.61846
H         -1.80391       -1.84115       -0.98929
H         -2.68451        0.39828       -0.73737
H         -2.47667       -0.36240        0.80210
H          1.80388        1.84115       -0.98936
H          0.65666        0.70547       -1.61849
154
l_ndi_dimer_m06l_1.log
C         -7.99277        2.13667       -1.65397
C         -6.74854        1.34961       -1.69179
C         -6.77644       -0.02496       -1.39484
C         -7.98314       -0.67270       -1.07252
C         -9.24643        0.08767       -1.04038
N         -9.15809        1.45802       -1.29516
C         -5.55315        1.96462       -2.00403
C         -4.36467        1.23350       -2.02778
C         -4.36434       -0.11393       -1.72837
C         -5.57038       -0.76391       -1.40513
C         -5.59796       -2.13098       -1.07361
C         -6.79348       -2.74484       -0.76045
C         -7.98479       -2.01886       -0.76637
C         -3.09815       -0.86895       -1.74721
N         -3.17499       -2.21751       -1.37534
C         -4.34413       -2.90183       -1.01801
O        -10.31596       -0.43655       -0.79260
O         -8.02742        3.32554       -1.91138
C        -10.38217        2.24474       -1.24343
C         -1.94780       -2.97421       -1.36199
O         -2.03623       -0.37185       -2.06335
O         -4.30022       -4.06602       -0.67452
C         -1.66640       -3.82357       -2.41973
C         -0.48988       -4.55526       -2.39715
C          0.38526       -4.43423       -1.32850
C          0.09323       -3.58604       -0.26496
C         -1.08359       -2.84684       -0.28900
C          1.03761       -3.51254        0.89390
O          1.08118       -2.21492        1.51754
H         -5.55101        3.02463       -2.22354
H         -3.42827        1.71525       -2.27696
H         -6.79014       -3.79462       -0.49832
H         -8.92304       -2.49713       -0.51653
H        -10.17255        3.20528       -0.78348
H        -10.77026        2.41817       -2.24687
H        -11.11894        1.70110       -0.66450
H         -2.36156       -3.90351       -3.24548
H         -0.25057       -5.21522       -3.22092
H          1.31258       -4.99680       -1.31948
H         -1.31622       -2.15237        0.51009
H          2.03328       -3.82842        0.58445
H          0.71988       -4.19055        1.68918
C         -7.64477       -1.16366        2.42439
C         -6.31800       -0.58728        2.14995
C         -6.19729        0.77925        1.84129
C         -7.32700        1.61760        1.80830
C         -8.66800        1.06975        2.08970
N         -8.73790       -0.29966        2.35596
C         -5.19748       -1.39244        2.17426
C         -3.93762       -0.86207        1.89292
C         -3.79421        0.47384        1.57562
C         -4.92214        1.31549        1.54521
C         -4.80943        2.67702        1.21086
C         -5.93032        3.48159        1.19048
C         -7.18584        2.95378        1.49167
C         -2.45830        1.01350        1.26241
N         -2.40393        2.36818        0.91071
C         -3.49794        3.24383        0.85596
O         -9.66823        1.76207        2.07794
O         -7.81118       -2.33925        2.69097
C        -10.04187       -0.89787        2.60370
C         -1.11410        2.93643        0.60819
O         -1.44806        0.34023        1.29477
O         -3.34574        4.40354        0.52953
C         -0.72946        3.10033       -0.71077
C          0.48486        3.71313       -0.98915
C          1.29413        4.15521        0.04282
C          0.91911        3.96452        1.37105
C         -0.29417        3.34683        1.64818
C          1.81622        4.42009        2.48176
O          3.15563        3.89468        2.36224
H         -5.31232       -2.44377        2.40578
H         -3.05926       -1.49401        1.91655
H         -5.82099        4.52507        0.92579
H         -8.06640        3.58232        1.46792
H        -10.80499       -0.15976        2.38956
H        -10.17127       -1.76690        1.96384
H        -10.12135       -1.21754        3.64144
H         -1.38008        2.76144       -1.50684
H          0.79298        3.85295       -2.01781
H          2.23043        4.65424       -0.17474
H         -0.60816        3.19205        2.67393
H          1.39501        4.14921        3.45239
H          1.94387        5.50276        2.46712
P          1.92072       -0.93446        1.02961
O          3.51590       -1.32213        1.19488
O          1.77592       -1.21847       -0.59946
C          4.12051       -2.37550        0.54404
C          2.66524       -0.61728       -1.45859
C          4.56689       -3.43697        1.34808
C          4.30427       -2.35284       -0.82712
C          3.92992       -1.15369       -1.60708
C          2.21498        0.48507       -2.19959
C          5.15200       -4.52713        0.77216
H          4.42269       -3.36732        2.41879
C          4.82467       -3.53380       -1.44445
C          4.83218       -0.49834       -2.50251
C          3.04778        1.07200       -3.10909
H          1.20294        0.83601       -2.04104
C          5.26770       -4.62132       -0.63097
H          5.50826       -5.34716        1.38422
C          4.87263       -3.69843       -2.84782
C          4.36992        0.60996       -3.27690
C          6.18918       -0.87439       -2.63614
H          2.71036        1.91734       -3.69761
C          5.79000       -5.77948       -1.24626
C          5.36562       -4.84535       -3.41358
H          4.49643       -2.90864       -3.48420
C          5.25738        1.25038       -4.16873
C          7.03031       -0.21774       -3.49685
H          6.57244       -1.68875       -2.03652
C          5.84516       -5.89229       -2.60935
H          6.13390       -6.58691       -0.61036
H          5.37965       -4.94700       -4.49151
C          6.56065        0.84774       -4.28313
H          4.88366        2.08454       -4.75151
H          8.06757       -0.52144       -3.56768
H          6.24157       -6.78886       -3.06843
H          7.23281        1.35432       -4.96418
P          3.33270        2.29053        2.55150
O          4.84795        2.44108        3.19409
O          3.74907        1.76851        1.05179
C          5.59024        1.27455        3.18967
C          4.89236        2.18112        0.39901
C          5.67111        0.53788        4.37982
C          6.23630        0.89571        2.02939
C          6.13579        1.76330        0.83739
C          4.72051        2.96795       -0.74852
C          6.40163       -0.61618        4.41100
H          5.15317        0.90733        5.25528
C          6.93338       -0.35045        2.03215
C          7.28502        2.23494        0.12908
C          5.81011        3.36740       -1.46726
H          3.71508        3.22467       -1.05259
C          7.03341       -1.09795        3.24539
H          6.48511       -1.18892        5.32661
C          7.48747       -0.91429        0.86040
C          7.11177        3.02531       -1.04808
C          8.60719        1.98221        0.56219
H          5.68797        3.96156       -2.36505
C          7.73372       -2.32458        3.24537
C          8.14333       -2.11743        0.89050
H          7.37557       -0.38847       -0.07846
C          8.24681        3.45849       -1.76722
C          9.68840        2.43045       -0.15081
H          8.76605        1.43270        1.48013
C          8.28505       -2.82450        2.09662
H          7.81172       -2.87060        4.17834
H          8.54902       -2.53039       -0.02531
C          9.51168        3.16098       -1.33795
H          8.09008        4.04044       -2.66829
H         10.68878        2.22510        0.20903
H          8.81287       -3.76972        2.10995
H         10.37403        3.50021       -1.89752
175
l_ndi_dimer_rh_cod_m06l_14.log
C         -8.42145        0.07883        2.14111
C         -7.13737        0.71029        1.79111
C         -6.95261        1.26749        0.51287
C         -7.98491        1.24679       -0.44256
C         -9.28394        0.62882       -0.11685
N         -9.40097        0.04785        1.14807
C         -6.11109        0.74101        2.71327
C         -4.88347        1.31906        2.38780
C         -4.67389        1.86098        1.13572
C         -5.70517        1.84382        0.17809
C         -5.51331        2.36920       -1.11265
C         -6.54423        2.34661       -2.03025
C         -7.77907        1.79221       -1.69404
C         -3.36010        2.43555        0.79898
N         -3.19986        2.88897       -0.51887
C         -4.19720        2.90015       -1.50571
O        -10.20999        0.60668       -0.90516
O         -8.63696       -0.41073        3.23393
C        -10.66025       -0.59682        1.49345
C         -1.89457        3.36348       -0.89743
O         -2.44418        2.50159        1.59350
O         -3.96110        3.32029       -2.62027
C         -1.43182        4.58138       -0.42185
C         -0.17097        5.01560       -0.79796
C          0.61617        4.23610       -1.63332
C          0.14869        3.01545       -2.10547
C         -1.11947        2.58547       -1.73638
C          0.99713        2.18053       -3.00634
O          1.10950        0.78900       -2.58498
H         -6.27114        0.30305        3.69011
H         -4.07827        1.34243        3.11049
H         -6.37420        2.75196       -3.01893
H         -8.58553        1.76627       -2.41516
H        -10.45588       -1.50510        2.05165
H        -11.27202        0.06066        2.11052
H        -11.19345       -0.82766        0.57879
H         -2.05417        5.17439        0.23539
H          0.20332        5.96324       -0.43231
H          1.60664        4.57226       -1.91783
H         -1.49787        1.63538       -2.09263
H          1.98954        2.61306       -3.11704
H          0.55676        2.10041       -4.00075
C         -7.05657       -1.37609       -2.54725
C         -5.84190       -1.27888       -1.71906
C         -5.84183       -1.78427       -0.40660
C         -6.98782       -2.39650        0.13288
C         -8.21315       -2.52323       -0.67919
N         -8.17756       -1.96055       -1.95746
C         -4.70569       -0.68569       -2.23014
C         -3.54995       -0.58649       -1.45465
C         -3.52451       -1.06790       -0.16089
C         -4.67408       -1.67042        0.38424
C         -4.68811       -2.15349        1.70429
C         -5.82450       -2.75023        2.21289
C         -6.96964       -2.87715        1.42698
C         -2.29224       -0.95141        0.64001
N         -2.37010       -1.40705        1.96524
C         -3.49863       -2.00434        2.55756
O         -9.21288       -3.07896       -0.26641
O         -7.10461       -0.96795       -3.69234
C         -9.37794       -2.04249       -2.77824
C         -1.19208       -1.31000        2.78703
O         -1.25867       -0.48535        0.19905
O         -3.46712       -2.37744        3.71179
C         -1.19082       -0.47248        3.89111
C         -0.07645       -0.44445        4.71405
C          1.02152       -1.24307        4.43391
C          1.02209       -2.07756        3.32014
C         -0.09515       -2.10210        2.49259
C          2.18709       -2.98956        3.08252
O          2.39981       -3.30748        1.69862
H         -4.72554       -0.29582       -3.23978
H         -2.65690       -0.13013       -1.85929
H         -5.81507       -3.11028        3.23309
H         -7.86145       -3.34340        1.82490
H         -9.50657       -1.11038       -3.31928
H         -9.29520       -2.85500       -3.49951
H        -10.22841       -2.22240       -2.13157
H         -2.05682        0.13949        4.10596
H         -0.06474        0.20564        5.57917
H          1.88688       -1.22379        5.08621
H         -0.12604       -2.74835        1.62433
H          2.01682       -3.95787        3.55688
H          3.10168       -2.58139        3.51401
Rh         1.39019       -2.03015       -1.11802
C          0.94161       -2.11544       -3.38051
C         -0.26514       -2.06816       -2.72203
C          0.45297       -4.08621       -0.75157
C          1.53858       -4.31328       -1.56519
C          1.62712       -3.33053       -3.91381
H          1.34989       -1.17559       -3.73205
C         -1.18570       -3.23811       -2.50549
H         -0.68977       -1.08249       -2.55410
C         -0.97576       -3.94625       -1.16676
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C          1.49089       -4.58018       -3.04528
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H          2.68317       -3.08839       -4.03917
H          1.25517       -3.53510       -4.92428
H         -2.21497       -2.88170       -2.55073
H         -1.08021       -3.94280       -3.32944
H         -1.49826       -3.40012       -0.37790
H         -1.44406       -4.93675       -1.18888
H          0.56918       -5.11126       -3.28077
H          2.30117       -5.26508       -3.29444
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C          3.93547        1.67696       -1.71748
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C          4.47984        1.86197       -2.99517
C          3.90066        2.66034       -0.75170
C          3.40892        2.37710        0.61371
C          1.61684        1.61384        2.09514
C          4.97441        3.08567       -3.34024
H          4.48892        1.02447       -3.68051
C          4.32556        3.97224       -1.14519
C          4.16554        2.74464        1.77437
C          2.28139        2.07715        3.19262
H          0.64268        1.14639        2.16892
C          4.88618        4.17179       -2.44381
H          5.41209        3.24639       -4.31804
C          4.14997        5.10842       -0.32278
C          3.57626        2.62398        3.06889
C          5.50575        3.18837        1.69961
H          1.83882        1.99394        4.17811
C          5.30754        5.46382       -2.82683
C          4.54671        6.35376       -0.73526
H          3.67063        4.99660        0.64020
C          4.31774        3.00373        4.20770
C          6.20896        3.52285        2.82835
H          5.99043        3.25010        0.73406
C          5.14928        6.53529       -1.99073
H          5.74341        5.58945       -3.81087
H          4.38594        7.20707       -0.08859
C          5.60808        3.44724        4.09555
H          3.84629        2.91325        5.17949
H          7.23903        3.84506        2.74060
H          5.46844        7.52229       -2.29967
H          6.17021        3.72477        4.97804
P          2.84259       -2.28635        0.55573
O          4.22147       -3.04897        0.14767
O          3.41248       -0.95889        1.27415
C          5.02552       -2.33677       -0.73710
C          4.64922       -0.88376        1.91634
C          4.99498       -2.69918       -2.08824
C          5.81135       -1.32081       -0.23885
C          5.82548       -1.05294        1.21353
C          4.61409       -0.53835        3.27398
C          5.76667       -2.00887       -2.98017
H          4.36606       -3.52658       -2.39136
C          6.55484       -0.54104       -1.17781
C          7.04887       -0.99158        1.95678
C          5.78124       -0.39664        3.96647
H          3.65232       -0.36915        3.74030
C          6.54879       -0.91307       -2.55673
H          5.77128       -2.28165       -4.02872
C          7.26149        0.62611       -0.80867
C          7.02067       -0.63518        3.33876
C          8.30092       -1.31301        1.38550
H          5.76677       -0.11351        5.01190
C          7.30383       -0.15507       -3.47885
C          7.96295        1.35438       -1.73397
H          7.23788        0.95431        0.22173
C          8.23141       -0.54726        4.05880
C          9.45719       -1.23617        2.11718
H          8.34535       -1.63903        0.35544
C          8.00463        0.95047       -3.07932
H          7.30206       -0.46227       -4.51816
H          8.48674        2.25072       -1.42512
C          9.42928       -0.83277        3.46209
H          8.18701       -0.25992        5.10274
H         10.40082       -1.49577        1.65421
H          8.57332        1.52607       -3.79848
H         10.35098       -0.76585        4.02557
77
l_ndi_m06l_19.log
C         -6.14134       -0.49937       -0.88521
C         -4.82328       -1.11250       -0.65291
C         -3.99152       -0.61907        0.36853
C         -4.39769        0.45727        1.17725
C         -5.71268        1.09000        0.96759
N         -6.49968        0.56447       -0.05937
C         -4.39895       -2.15890       -1.44546
C         -3.14787       -2.74026       -1.23907
C         -2.31584       -2.27737       -0.24068
C         -2.72205       -1.20728        0.57743
C         -1.88626       -0.70293        1.59036
C         -2.30700        0.35398        2.37134
C         -3.56002        0.93131        2.16638
C         -1.00269       -2.90945       -0.03267
N         -0.22204       -2.38992        1.00657
C         -0.55888       -1.29902        1.81697
O         -6.10016        2.02222        1.64634
O         -6.90408       -0.88063       -1.75367
C         -7.80626        1.15421       -0.31047
C          1.03698       -3.04031        1.27041
O         -0.59958       -3.83780       -0.70485
O          0.21564       -0.89272        2.66045
C          1.09613       -4.02799        2.23711
C          2.31245       -4.64650        2.48873
C          3.44296       -4.27453        1.78207
C          3.37718       -3.27801        0.81061
C          2.16004       -2.66196        0.55438
C          4.62331       -2.90507        0.06474
O          4.37666       -1.89404       -0.91157
P          4.94423       -0.39517       -0.66641
C          2.31596       -0.46886       -3.08998
C          2.85624        0.33272       -2.07586
C          2.08728        1.14533       -1.26669
C          0.66877        1.10936       -1.44619
C          0.11306        0.31634       -2.49758
C          0.96736       -0.46373       -3.30484
C         -0.22640        1.82211       -0.61541
C         -1.57598        1.81780       -0.85522
C         -2.11147        1.08566       -1.92807
C         -1.28196        0.33561       -2.71744
C          2.74204        1.98140       -0.23633
C          3.60960        1.38241        0.65908
C          4.21383        2.08291        1.71264
C          3.97067        3.41872        1.86112
C          3.15772        4.10940        0.93827
C          2.54934        3.39251       -0.13759
C          2.95629        5.50301        1.04158
C          2.21573        6.18109        0.11172
C          1.65350        5.48650       -0.97258
C          1.81423        4.13110       -1.09282
O          4.23604        0.33339       -1.93813
O          3.87201        0.03465        0.53244
H         -5.05193       -2.52094       -2.22852
H         -2.81359       -3.56261       -1.85772
H         -1.64781        0.72879        3.14320
H         -3.89021        1.76117        2.77698
H         -7.96370        1.95386        0.40267
H         -7.85034        1.54803       -1.32364
H         -8.58301        0.40069       -0.20084
H          0.20277       -4.30365        2.78263
H          2.37625       -5.42074        3.24235
H          4.39142       -4.75889        1.98442
H          2.08288       -1.88432       -0.19517
H          5.02258       -3.77335       -0.46449
H          5.40301       -2.58515        0.76597
H          2.98652       -1.06945       -3.68995
H          0.53531       -1.06454       -4.09588
H          0.16265        2.38190        0.22480
H         -2.23621        2.38121       -0.20771
H         -3.17791        1.10430       -2.11569
H         -1.68134       -0.25968       -3.53071
H          4.86123        1.54279        2.39096
H          4.42133        3.97162        2.67635
H          3.41606        6.02707        1.87130
H          2.07440        7.25070        0.19960
H          1.09346        6.02841       -1.72431
H          1.38483        3.61486       -1.94114
98
l_ndi_rh_cod_m06l_4.log
C         -6.53199        2.95009        0.32167
C         -5.45685        1.95700        0.12454
C         -5.69790        0.78809       -0.61837
C         -6.96214        0.53465       -1.17816
C         -8.05331        1.50956       -0.99762
N         -7.76502        2.65547       -0.25926
C         -4.21122        2.18205        0.67264
C         -3.17944        1.26372        0.48648
C         -3.38787        0.11336       -0.25114
C         -4.65410       -0.14699       -0.80588
C         -4.90212       -1.31770       -1.54194
C         -6.15404       -1.54643       -2.07873
C         -7.18140       -0.62098       -1.89858
C         -2.29621       -0.83787       -0.45128
N         -2.57265       -1.99717       -1.16013
C         -3.83160       -2.29828       -1.74915
O         -9.16438        1.34603       -1.46347
O         -6.35620        3.97222        0.95568
C         -8.86005        3.60150       -0.09793
C         -1.49951       -2.92553       -1.37581
O         -1.17244       -0.59622        0.00091
O         -3.96725       -3.31235       -2.39425
C         -1.60373       -4.25108       -0.97745
C         -0.50747       -5.08283       -1.13913
C          0.69281       -4.58719       -1.63226
C          0.79227       -3.25768       -2.01976
C         -0.33054       -2.44383       -1.93523
C          2.09304       -2.65422       -2.45281
O          2.15715       -1.24372       -2.15409
H         -4.04688        3.08401        1.24650
H         -2.20484        1.44541        0.91876
H         -6.32501       -2.45384       -2.64231
H         -8.16151       -0.79784       -2.32084
H         -9.19497        3.95354       -1.07110
H         -9.69803        3.11948        0.40057
H         -8.50770        4.43629        0.49510
H         -2.51989       -4.61757       -0.53571
H         -0.57575       -6.11871       -0.83335
H          1.56338       -5.22989       -1.68692
H         -0.28150       -1.41444       -2.26346
H          2.23138       -2.70855       -3.53323
H          2.93577       -3.17164       -1.98876
Rh         0.63260       -1.54657        0.88161
C         -0.70250       -2.76539        2.26152
C         -0.64436       -1.47989        2.74880
C          2.15198       -1.69314        2.35781
C          2.07013       -2.89483        1.61592
C          0.07048       -3.93786        2.79779
H         -1.52095       -2.99587        1.58455
C          0.23799       -0.97565        3.84641
H         -1.42927       -0.79851        2.43387
C          1.65643       -1.53136        3.77790
H          2.95136       -1.01479        2.08198
C          1.40212       -4.15741        2.07278
H          2.83750       -3.05711        0.86201
H         -0.53957       -4.83473        2.68982
H          0.23005       -3.81030        3.86787
H          0.27223        0.11237        3.77108
H         -0.21784       -1.19086        4.81898
H          2.32771       -0.85515        4.30679
H          1.72740       -2.48691        4.29809
H          2.09083       -4.72804        2.70621
H          1.23264       -4.77971        1.19276
P          2.07627       -0.72104       -0.64277
O          1.84241        0.83025       -1.03792
O          3.60927       -0.71024       -0.12693
C          2.10948        1.71575        0.00781
C          4.55332        0.10489       -0.74715
C          1.02180        2.21697        0.73124
C          3.42062        2.04711        0.27344
C          4.49271        1.47126       -0.56549
C          5.55715       -0.52886       -1.48781
C          1.25334        3.07568        1.76860
H          0.02337        1.91407        0.44505
C          3.67334        2.89435        1.39539
C          5.45866        2.27294       -1.24669
C          6.52189        0.22932       -2.08809
H          5.55196       -1.60813       -1.56249
C          2.57077        3.42254        2.13540
H          0.42729        3.48407        2.33798
C          4.97923        3.19724        1.84092
C          6.49171        1.63651       -2.00008
C          5.41213        3.68520       -1.24435
H          7.31287       -0.24234       -2.65797
C          2.82219        4.26369        3.24096
C          5.18717        4.00623        2.92711
H          5.82650        2.77210        1.31987
C          7.45109        2.43076       -2.66480
C          6.35118        4.42587       -1.91278
H          4.61285        4.18690       -0.71551
C          4.10152        4.55732        3.62784
H          1.97456        4.66431        3.78418
H          6.19802        4.21800        3.25165
C          7.38949        3.79697       -2.61988
H          8.23336        1.93021       -3.22301
H          6.28841        5.50665       -1.90095
H          4.28025        5.20083        4.47961
H          8.12852        4.39445       -3.13795
41
rh_cod2_m06l_1.log
C          1.48853        0.49415       -1.58465
C          1.64670       -0.84456       -1.28120
C          1.48888       -0.49361        1.58440
C          1.64601        0.84529        1.28102
C          2.28987        1.63456       -1.03804
H          0.88827        0.73074       -2.45829
C          2.71936       -1.45292       -0.41964
H          1.09234       -1.54606       -1.89798
C          2.29115       -1.63338        1.03778
H          0.88901       -0.73068        2.45818
C          2.71816        1.45451        0.41941
H          1.09137        1.54632        1.89806
H          1.68446        2.53887       -1.12716
H          3.16799        1.80830       -1.66948
H          2.97331       -2.42960       -0.83087
H          3.62740       -0.85607       -0.48464
H          1.68645       -2.53817        1.12684
H          3.16938       -1.80646        1.66925
H          3.62671        0.85844        0.48447
H          2.97127        2.43143        0.83058
Rh         0.00008       -0.00034        0.00003
C         -1.48880       -0.49541       -1.58405
C         -1.64636        0.84367       -1.28190
C         -1.64626       -0.84377        1.28201
C         -1.48848        0.49530        1.58415
C         -2.29059       -1.63495       -1.03626
H         -0.88874       -0.73311       -2.45753
C         -2.71860        1.45332       -0.42074
H         -1.09181        1.54432       -1.89946
C         -2.71874       -1.45330        0.42103
H         -1.09176       -1.54448        1.89955
C         -2.29014        1.63496        1.03646
H         -0.88834        0.73289        2.45760
H         -1.68556       -2.53960       -1.12453
H         -3.16882       -1.80896       -1.66748
H         -2.97215        2.42973       -0.83283
H         -3.62693        0.85683       -0.48507
H         -3.62699       -0.85673        0.48556
H         -2.97230       -2.42970        0.83316
H         -1.68492        2.53950        1.12458
H         -3.16821        1.80915        1.66785
