PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
n-propylamine
477 n-Propylamine
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ΔHf: -16.8 kcal/mol, REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
GEO-OK PM7
n-Propylamine
H=-16.8 HR=C&P1970
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.52662937 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.54256694 +1 110.4259028 +1 0.0000000 +0 2 1 0
H 1.09619718 +1 111.5584849 +1 60.2170861 +1 1 2 3
H 1.09631097 +1 111.2680398 +1 -179.9313492 +1 1 2 3
H 1.09621116 +1 111.5671237 +1 -60.0700895 +1 1 2 3
H 1.10539690 +1 110.0610152 +1 121.7601397 +1 2 1 3
H 1.10539442 +1 110.0503744 +1 -121.7440329 +1 2 1 3
H 1.11207140 +1 110.2778065 +1 -58.4937514 +1 3 2 1
H 1.11205120 +1 110.2881310 +1 58.5651295 +1 3 2 1
N 1.47491768 +1 113.7050137 +1 -179.9752551 +1 3 2 1
H 1.00603068 +1 111.9724912 +1 61.2723359 +1 11 3 2
H 1.00604419 +1 111.9802948 +1 -61.1444150 +1 11 3 2