PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
acetaldoxime
924 Acetaldoxime
(Previous)
(Back)
(Next)
ΔHf: -5.4 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
Acetaldoxime
H=-5.39 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.49332356 +1 0.0000000 +0 0.0000000 +0 1 0 0
N 1.29082627 +1 118.4614670 +1 0.0000000 +0 2 1 0
O 1.38715846 +1 111.9877235 +1 -179.9815732 +1 3 2 1
H 1.10022838 +1 110.8383986 +1 120.0283510 +1 1 2 3
H 1.10195931 +1 112.7606453 +1 -0.1147279 +1 1 2 3
H 1.10022356 +1 110.8519537 +1 -120.2721276 +1 1 2 3
H 1.09647824 +1 116.4579100 +1 -59.9476416 +1 2 1 5
H 1.00363054 +1 102.5417446 +1 -179.9863750 +1 4 3 2