PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
3(dimethylamino) propanenitrile
629 3(Dimethylamino) propanenitrile
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ΔHf: 21.6 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
3(Dimethylamino) propanenitrile
H=21.6 HR=NIST
N 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.15670510 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.44398547 +1 179.9917706 +1 0.0000000 +0 2 1 0
N 3.81255078 +1 132.1137059 +1 176.0148180 +1 3 2 1
C 1.47810153 +1 108.5105250 +1 -65.6659257 +1 4 3 2
C 1.47868134 +1 130.3827318 +1 -139.7756017 +1 4 3 5
H 1.11666601 +1 110.3264103 +1 -124.2150585 +1 3 2 4
H 1.11686332 +1 110.3972774 +1 -116.0242801 +1 3 2 7
H 1.09964734 +1 114.6150825 +1 -89.1019261 +1 5 4 3
H 1.10223134 +1 109.4426941 +1 122.2103813 +1 5 4 9
H 1.10351472 +1 108.6840416 +1 116.3589914 +1 5 4 10
H 1.09932318 +1 114.6884275 +1 76.2018631 +1 6 4 3
H 1.10281238 +1 109.0688426 +1 -122.2918013 +1 6 4 12
H 1.10348166 +1 108.8493715 +1 -116.1618870 +1 6 4 13
C 1.53645181 +1 110.4585860 +1 -121.9869289 +1 3 2 8
C 1.48426263 +1 23.6943831 +1 38.5800234 +1 4 3 6
H 1.10982806 +1 110.7531283 +1 62.0639628 +1 15 3 2
H 1.10596836 +1 110.5050672 +1 -116.4190570 +1 15 3 17
H 1.10975211 +1 113.0148607 +1 130.0491526 +1 16 4 3
H 1.11240189 +1 108.8520385 +1 118.4103355 +1 16 4 19