PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
hexanedinitrile
627 Hexanedinitrile
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ΔHf: 35.7 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.
PM7
Hexanedinitrile
H=35.7 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.44442361 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.53817197 +1 110.4758100 +1 0.0000000 +0 2 1 0
C 1.53099923 +1 110.2931332 +1 179.9724603 +1 3 2 1
C 1.53842352 +1 110.2989750 +1 179.9873339 +1 4 3 2
C 1.44458713 +1 110.4175012 +1 179.8574976 +1 5 4 3
N 1.15658684 +1 143.9437456 +1 -179.9827685 +1 6 4 5
N 1.15656985 +1 144.1065509 +1 -179.9979146 +1 1 3 2
H 1.11722875 +1 110.3871683 +1 -122.1419856 +1 2 1 3
H 1.11731641 +1 110.3821896 +1 -115.7562979 +1 2 1 9
H 1.10839396 +1 109.9234595 +1 122.0252599 +1 3 2 4
H 1.10847425 +1 109.9223000 +1 115.9757756 +1 3 2 11
H 1.10833049 +1 110.4431157 +1 -121.7168662 +1 4 3 5
H 1.10845780 +1 110.4337220 +1 -116.5946459 +1 4 3 13
H 1.11704851 +1 110.1503321 +1 122.2089673 +1 5 4 6
H 1.11704213 +1 110.1975275 +1 115.6182414 +1 5 4 15