15
Conformer name: IO/O1 Relative energy: 0.00 kcal/mol
C  -0.7250177675   0.3546422611  -0.0087848122
C   0.6036405075   0.0499228742   0.6758496919
N  -1.7609856692   0.0188966751   0.9519793562
H  -2.4801581075   0.7267274770   1.0118991075
H  -2.2014181710  -0.8735531693   0.7600350364
H  -0.7089986518   1.4365609996  -0.1773145173
C  -0.8141331347  -0.3316279645  -1.3744199033
H  -1.7264586170  -0.0086999047  -1.8763532904
H  -0.8274364300  -1.4199045685  -1.2590289007
O   0.3478655239   0.0983340071  -2.0859594093
O   0.5868735434  -0.1598928043   1.9259988692
H   0.3731060558  -0.2825644187  -2.9695276819
O   1.7144324841   0.0181126762   0.0631662195
H   1.5272549498   0.1091090898  -0.9139244235
H  -0.3879623788  -0.1297817300   2.1607297332
15
Conformer name: IIO/O2 Relative energy: 6.14 kcal/mol
C  -0.4198163752  -0.7942133428  -0.1575415535
C  -0.0988080432   0.2206891493   0.9228535798
N   0.7394566811  -1.6363796525  -0.3665014583
H   1.5523374532  -1.1345200587  -0.6994785346
H   0.9745407354  -2.2152896880   0.4281062405
H  -1.2522974242  -1.4041431164   0.1936864311
C  -0.8113247622  -0.0918897348  -1.4522315972
H  -1.7541670661   0.4473000908  -1.3382648661
H  -0.8958496663  -0.8427884641  -2.2361678847
O   0.2611602549   0.8255579108  -1.7430973134
O  -0.3104061589  -0.1172981893   2.1435884179
H   0.1073770646   1.2857405633  -2.5742593088
O   0.4472695503   1.3416925554   0.6751773358
H   0.5123335410   1.4344984058  -0.3372282097
H   0.0101772014   0.5586138510   2.7677624295
15
Conformer name: IIIO/O3 Relative energy: 6.23 kcal/mol
C  -0.4198116000  -0.7949438423  -0.1596936476
C  -0.0945697463   0.2170359854   0.9206720818
N   0.8180468292  -1.5515256482  -0.2386121917
H   0.6684460622  -2.5490153748  -0.2479276445
H   1.3965422046  -1.2706820698  -1.0187011158
H  -1.2333683961  -1.4196879523   0.2073164949
C  -0.8380615268  -0.0974018853  -1.4503455241
H  -1.7665628418   0.4626553071  -1.3148692755
H  -0.9695963298  -0.8456016203  -2.2319154071
O   0.2471396646   0.7897812830  -1.7749283895
O  -0.3517676637  -0.0946773235   2.1349434201
H   0.0771484538   1.2573283865  -2.5986523874
O   0.4837297435   1.3207228958   0.6675292385
H   0.5677139663   1.4055298393  -0.3354616955
H  -0.0095907561   0.5693306410   2.7602298036
15
Conformer name: IVO/O4 Relative energy: 6.34 kcal/mol
C  -0.7576895549   0.3405442092  -0.0339600806
C   0.5224619836   0.0485547689   0.7411657787
N  -1.9806044200  -0.0514766890   0.5986193758
H  -2.0003289682  -1.0211045469   0.8839959006
H  -2.2395057567   0.5360492761   1.3777067804
H  -0.7449929423   1.4315866639  -0.1511445064
C  -0.6856980159  -0.2737425914  -1.4383711745
H  -1.5194016321   0.1147717140  -2.0182407981
H  -0.7535828229  -1.3633383734  -1.3831682533
O   0.5716563040   0.1306259533  -2.0095371294
O   0.4379334665  -0.0526321057   2.0174433851
H   0.6936318133  -0.2477595884  -2.8863474608
O   1.6521384281  -0.0720327905   0.1800737198
H   1.4996311997  -0.0028154466  -0.8355120865
H   1.3112652007  -0.2013039767   2.4230520185
15
Conformer name: VO/O6 Relative energy: 6.89 kcal/mol
C  -0.7424604344   0.3662344158  -0.0321082127
C   0.5207882338   0.0471276137   0.7279145678
N  -1.8946916756  -0.1131090432   0.6957786481
H  -1.9882748149   0.3381878661   1.5974482651
H  -2.7416974415   0.0806096266   0.1749236904
H  -0.6827537436   1.4583097424  -0.1834432456
C  -0.6972988982  -0.2963322206  -1.4147039045
H  -1.5554457138   0.0400771143  -1.9957322573
H  -0.7268028444  -1.3822998768  -1.3089480841
O   0.5262910436   0.1362822683  -2.0318324676
O   0.4457858324  -0.0584802258   2.0021424090
H   0.6397018309  -0.2726915396  -2.8961270142
O   1.6444134244  -0.0689482403   0.1534355052
H   1.4855354466   0.0039774968  -0.8570876084
H   1.3173659552  -0.2294778922   2.4025761681
15
Conformer name: VIO/O7 Relative energy: 6.96 kcal/mol
C  -0.7580518982   0.3276488844  -0.0284647945
C   0.5262775268   0.0449842623   0.7336663024
N  -1.9047925571  -0.0201546575   0.7589457009
H  -2.1767691177  -0.9899999713   0.6692603402
H  -2.6982217889   0.5720887365   0.5645176949
H  -0.7303120828   1.4170220944  -0.1604823458
C  -0.6990855450  -0.3088003286  -1.4274051765
H  -1.5626740394   0.0334091449  -1.9958224747
H  -0.7212642956  -1.3996320847  -1.3513504151
O   0.5213372872   0.1355733717  -2.0424629457
O   1.6495228295  -0.0438133724   0.1462606988
H   0.6318656048  -0.2496590721  -2.9180065391
O   0.4732041703  -0.0719567267   2.0049835824
H   1.3608917343  -0.2079138922   2.3835267938
H   1.4884579271   0.0297605309  -0.8588976374
15
Conformer name: VIIO/O5 Relative energy: 6.94 kcal/mol
C  -0.4473923825  -0.8026988562  -0.1343322191
C  -0.0775025196   0.2130890745   0.9259818285
N   0.7694775494  -1.5806383315  -0.3659041717
H   1.0561495938  -2.0852701642   0.4659769549
H   0.5882015604  -2.2821404205  -1.0764381766
H  -1.3125489127  -1.3675627959   0.2281712139
C  -0.8091115910  -0.0623678005  -1.4285943821
H  -1.7278492754   0.5104326598  -1.3152149775
H  -0.9387406525  -0.7792435742  -2.2387328175
O   0.2194108325   0.8893718060  -1.7579754711
O  -0.2876937984  -0.1089917208   2.1517853158
H   0.9799760579   0.4217146047  -2.1261270600
O   0.4480393559   1.3219067095   0.6383096224
H   0.5132847031   1.3600603815  -0.4094894122
H   0.0171092109   0.5859816838   2.7634603443
15
Conformer name: VIIIO/O8 Relative energy: 7.21 kcal/mol
C  -0.7615490554   0.3591385161  -0.0143172188
C   0.5293840569   0.0597007831   0.7388131619
N  -1.9775804272  -0.0422873319   0.6248252591
H  -2.2194190325   0.5186867697   1.4287740423
H  -2.0012017683  -1.0216291020   0.8753557566
H  -0.7534518139   1.4519582175  -0.1144733652
C  -0.7043851831  -0.2526237180  -1.4272211815
H  -1.5213028611   0.1602588184  -2.0127051111
H  -0.8235255144  -1.3351267943  -1.3711547808
O   0.5701542073   0.0054908028  -2.0424581903
O   0.4610949126  -0.0893080760   2.0111238128
H   0.5020633167   0.6843586877  -2.7203826228
O   1.6544390233  -0.0209867805   0.1608873198
H   1.4869827833   0.0573829978  -0.8517886684
H   1.3404121872  -0.2453451132   2.4010787368
15
Conformer name: IXO/O10 Relative energy: 7.93 kcal/mol
C  -0.7485015116   0.3827354738  -0.0121404471
C   0.5280764923   0.0579046191   0.7236082536
N  -1.8859624256  -0.1100104204   0.7278636565
H  -1.9847375454   0.3447833184   1.6271086372
H  -2.7413140709   0.0542112874   0.2107481305
H  -0.6970087583   1.4777789944  -0.1471094080
C  -0.7172608687  -0.2750584673  -1.4049100672
H  -1.5636337799   0.0787634905  -1.9908424362
H  -0.7862266818  -1.3566840205  -1.2987302858
O   0.5231929266   0.0163573622  -2.0661979088
O   0.4717946985  -0.0838654677   1.9949719144
H   0.4248023300   0.7282801921  -2.7056617621
O   1.6451694119  -0.0306693677   0.1311823991
H   1.4720404603   0.0500787495  -0.8763031541
H   1.3497437507  -0.2631945954   2.3777470570
