PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
t-butylmalononitrile
637 t-Butylmalononitrile
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ΔHf: 30.3 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
t-Butylmalononitrile
H=30.29 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.53167870 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.52906932 +1 110.2877034 +1 0.0000000 +0 2 1 0
C 1.53162928 +1 109.7648594 +1 -121.7130941 +1 2 1 3
C 1.57809199 +1 108.2260681 +1 -118.0814867 +1 2 1 4
C 1.45244566 +1 111.0564438 +1 178.1495066 +1 5 2 1
N 1.15566627 +1 144.0237645 +1 178.7644842 +1 6 2 5
C 1.45258710 +1 110.9992407 +1 122.5215085 +1 5 2 6
N 1.15568342 +1 143.9762285 +1 -178.7397523 +1 8 2 5
H 1.09521601 +1 112.3176578 +1 -178.2954339 +1 1 2 3
H 1.09746369 +1 112.1629678 +1 121.3752682 +1 1 2 10
H 1.09800579 +1 110.8899003 +1 119.0088705 +1 1 2 11
H 1.09722179 +1 112.1011905 +1 179.8959947 +1 3 2 1
H 1.09719565 +1 112.1172937 +1 -120.8281129 +1 3 2 13
H 1.09738018 +1 111.1635301 +1 -119.6016422 +1 3 2 14
H 1.09743769 +1 112.1607136 +1 178.8982244 +1 4 2 1
H 1.09521390 +1 112.3264544 +1 121.4313367 +1 4 2 16
H 1.09805312 +1 110.8867042 +1 119.5663469 +1 4 2 17
H 1.13722902 +1 107.2210737 +1 118.6999282 +1 5 2 8