PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
n-methyl-n-butylamine
502 N-Methyl-n-butylamine
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ΔHf: -25.9 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-Methyl-n-butylamine
H=-25.9 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.52908451 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.53263907 +1 110.6899676 +1 0.0000000 +0 2 1 0
C 1.53843673 +1 110.4073018 +1 -179.2060639 +1 3 2 1
N 1.48297825 +1 108.9824672 +1 -174.6992216 +1 4 3 2
C 1.47690192 +1 111.3215504 +1 -174.3419668 +1 5 4 3
H 1.09596930 +1 111.3865469 +1 -59.5905703 +1 1 2 3
H 1.09560929 +1 111.4716700 +1 120.1097448 +1 1 2 7
H 1.09549045 +1 111.2235152 +1 119.9751567 +1 1 2 8
H 1.10670095 +1 109.9160998 +1 121.8134141 +1 2 1 3
H 1.10633707 +1 109.9349108 +1 116.2204082 +1 2 1 10
H 1.10457940 +1 110.3106921 +1 122.4452245 +1 3 2 4
H 1.10838912 +1 110.3033191 +1 116.4549922 +1 3 2 12
H 1.11260506 +1 110.0182154 +1 117.6595779 +1 4 3 5
H 1.11010783 +1 110.2708883 +1 117.7988744 +1 4 3 14
H 1.01839653 +1 110.6630156 +1 123.1697256 +1 5 4 6
H 1.10320627 +1 109.1636810 +1 -63.2598361 +1 6 5 4
H 1.09986705 +1 114.5924743 +1 121.8787354 +1 6 5 17
H 1.10301804 +1 108.6768762 +1 121.6327136 +1 6 5 18