PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
2,2-dimethyl-propanamide
953 2,2-Dimethyl-propanamide
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ΔHf: -74.8 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
2,2-Dimethyl-propanamide
H=-74.83 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.53239592 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.53210218 +1 110.9532324 +1 0.0000000 +0 1 2 0
C 1.53283963 +1 109.7440126 +1 121.5102024 +1 1 2 3
C 1.53347975 +1 109.2774711 +1 117.8414837 +1 1 2 4
O 1.21322733 +1 123.5722099 +1 -118.9314189 +1 5 1 2
N 1.38532971 +1 117.9288636 +1 -179.9921772 +1 5 1 6
H 1.09390729 +1 112.5484001 +1 55.0300245 +1 2 1 3
H 1.09785906 +1 111.3034052 +1 120.9183120 +1 2 1 8
H 1.09715463 +1 110.8279251 +1 119.0535161 +1 2 1 9
H 1.09776262 +1 111.3264359 +1 -175.8629920 +1 3 1 2
H 1.09391903 +1 112.5576984 +1 120.9924048 +1 3 1 11
H 1.09726397 +1 110.7971923 +1 119.9505769 +1 3 1 12
H 1.09854674 +1 111.2637039 +1 59.6808847 +1 4 1 2
H 1.09848639 +1 111.2625052 +1 118.0991723 +1 4 1 14
H 1.09356784 +1 111.7470312 +1 120.9582662 +1 4 1 15
H 0.99151684 +1 123.2443745 +1 0.0817119 +1 7 5 1
H 0.99998251 +1 119.5956807 +1 179.8991311 +1 7 5 17