PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
urethane
1222 Urethane
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ΔHf: -106.7 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
Urethane
H=-106.7 HR=NIST
O 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.21081127 +1 0.0000000 +0 0.0000000 +0 1 0 0
N 1.37434386 +1 125.5064818 +1 0.0000000 +0 2 1 0
O 1.36547817 +1 124.7202562 +1 -179.9955102 +1 2 1 3
C 1.43988350 +1 114.1603197 +1 0.0048292 +1 4 2 1
C 1.51898436 +1 103.7741435 +1 179.9828111 +1 5 4 2
H 0.99658411 +1 121.8311732 +1 179.9976969 +1 3 2 1
H 0.99929428 +1 119.7346637 +1 179.9983736 +1 3 2 7
H 1.10491253 +1 108.4709725 +1 120.5803715 +1 5 4 6
H 1.10499001 +1 108.4578527 +1 118.8657851 +1 5 4 9
H 1.09811707 +1 111.3820518 +1 -60.0262356 +1 6 5 4
H 1.09819954 +1 111.3649532 +1 119.2214772 +1 6 5 11
H 1.09604841 +1 111.0638989 +1 120.3755081 +1 6 5 12