PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
(z)-2-butenenitrile
482 (Z)-2-Butenenitrile
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ΔHf: 32.0 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
(Z)-2-Butenenitrile
H=32.03 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.48387600 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 2.42530775 +1 94.5579416 +1 0.0000000 +0 2 1 0
N 1.15854320 +1 152.9504565 +1 -0.0023342 +1 3 2 1
C 1.34232209 +1 123.8324182 +1 -0.0028006 +1 2 1 3
H 1.10322397 +1 111.6925153 +1 59.4699984 +1 1 2 3
H 1.10322134 +1 111.7135429 +1 -118.5743192 +1 1 2 6
H 1.09376519 +1 115.5033577 +1 -179.9972710 +1 2 1 5
H 1.09593960 +1 121.7411345 +1 -179.9992468 +1 5 2 1
H 1.09823496 +1 113.0201873 +1 -120.7091128 +1 1 2 7