PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
ethanethioamide
2113 Ethanethioamide
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ΔHf: 2.3 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
Ethanethioamide
H=2.3 HR=NIST
S 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.65268040 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.49416120 +1 123.7230012 +1 0.0000000 +0 2 1 0
N 1.35995119 +1 120.5926980 +1 179.9812009 +1 2 1 3
H 1.10092789 +1 112.1684957 +1 118.7464014 +1 3 2 1
H 1.10095150 +1 112.1793948 +1 121.6699726 +1 3 2 5
H 1.10594209 +1 112.1833979 +1 119.1216459 +1 3 2 6
H 0.99898235 +1 122.6201367 +1 179.9823250 +1 4 2 1
H 1.00625313 +1 121.3261905 +1 -179.9685897 +1 4 2 8