PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
n-butylamine
491 N-Butylamine
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ΔHf: -22.7 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
N-Butylamine
H=-22.7 HR=NIST
N 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.48224041 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.53882104 +1 109.0722094 +1 0.0000000 +0 2 1 0
C 1.53268578 +1 110.4541315 +1 175.0726228 +1 3 2 1
C 1.52889340 +1 110.6543270 +1 179.3938181 +1 4 3 2
H 1.00589942 +1 111.8374701 +1 57.4600471 +1 1 2 3
H 1.00602462 +1 111.6598939 +1 122.2593752 +1 1 2 6
H 1.11285496 +1 107.4920899 +1 119.1563984 +1 2 1 3
H 1.10998240 +1 112.8082166 +1 117.9623017 +1 2 1 8
H 1.10440559 +1 110.4106694 +1 122.4739329 +1 3 2 4
H 1.10833759 +1 109.3231422 +1 115.7910615 +1 3 2 10
H 1.10661264 +1 110.0680287 +1 121.7130524 +1 4 3 5
H 1.10628311 +1 110.2163373 +1 116.4821141 +1 4 3 12
H 1.09566320 +1 111.4524196 +1 -60.5851833 +1 5 4 3
H 1.09601857 +1 111.3748244 +1 120.0767975 +1 5 4 14
H 1.09557596 +1 111.2616106 +1 119.9282111 +1 5 4 15