Accuracy
trans-perfluorobicyclo(4,3,0)nonane
1365 trans-Perfluorobicyclo[4,3,0]nonane
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Geometry predicted using PM7
ΔHf: -768.9 kcal/mol, REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
trans-Perfluorobicyclo[4,3,0]nonane
H=-768.88 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.57261542 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.57040976 +1 114.0418224 +1 0.0000000 +0 2 1 0
C 1.57263482 +1 114.0418384 +1 -44.8828101 +1 3 2 1
C 1.54625979 +1 110.1200863 +1 48.7705509 +1 4 3 2
C 1.54599783 +1 110.1194860 +1 48.6829366 +1 1 2 3
C 1.55852331 +1 118.5517895 +1 -178.0495671 +1 6 1 2
C 1.57734464 +1 105.1406500 +1 154.9644629 +1 7 6 1
C 1.55879826 +1 118.5296480 +1 -178.0970616 +1 5 4 3
F 1.33220049 +1 109.9336363 +1 -74.2319764 +1 1 2 3
F 1.33130869 +1 110.0684933 +1 171.2413301 +1 1 2 3
F 1.33339159 +1 109.1799191 +1 -73.8190650 +1 2 1 6
F 1.33141204 +1 109.8084403 +1 172.1543273 +1 2 1 6
F 1.33146523 +1 109.5684571 +1 -168.3950029 +1 3 2 1
F 1.33333364 +1 109.2759458 +1 77.6481428 +1 3 2 1
F 1.33219734 +1 109.9130389 +1 -74.1342612 +1 4 3 2
F 1.33134375 +1 110.0847110 +1 171.3346235 +1 4 3 2
F 1.34400138 +1 107.2962444 +1 60.6094021 +1 5 4 3
F 1.34411828 +1 107.2876831 +1 60.6799042 +1 6 1 2
F 1.32937475 +1 111.8049477 +1 34.2865537 +1 7 6 1
F 1.32761825 +1 112.0086984 +1 -83.1728975 +1 7 6 1
F 1.32832080 +1 111.4833475 +1 -134.3527019 +1 8 7 6
F 1.32856002 +1 111.1672004 +1 108.8875599 +1 8 7 6
F 1.32939781 +1 111.7890810 +1 33.1617839 +1 9 5 4
F 1.32774323 +1 111.9581314 +1 -84.2397808 +1 9 5 4