PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
2-butylamine
489 2-Butylamine
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ΔHf: -25.4 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-Butylamine
H=-25.4 HR=NIST
N 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.47960581 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.54263525 +1 112.2743570 +1 0.0000000 +0 2 1 0
C 1.54494708 +1 109.6594210 +1 122.2549750 +1 2 1 3
C 1.52788914 +1 110.9129229 +1 68.5247621 +1 4 2 1
H 1.00539078 +1 112.2590255 +1 -69.3786549 +1 1 2 3
H 1.00579689 +1 111.9319369 +1 123.0124027 +1 1 2 6
H 1.12145505 +1 106.5891229 +1 118.2568439 +1 2 1 4
H 1.09384907 +1 111.6174736 +1 63.5366243 +1 3 2 1
H 1.09484914 +1 111.0444006 +1 119.9605342 +1 3 2 9
H 1.09417026 +1 111.3717396 +1 119.4014610 +1 3 2 10
H 1.10549620 +1 109.5888233 +1 121.6389303 +1 4 2 5
H 1.10537872 +1 110.1522590 +1 116.2301144 +1 4 2 12
H 1.10003798 +1 110.6341272 +1 -54.4340679 +1 5 4 2
H 1.09486811 +1 111.6087659 +1 119.0786795 +1 5 4 14
H 1.09400969 +1 111.5418233 +1 120.8521749 +1 5 4 15