Accuracy
hexahydro-1h-pyrrolizine
527 Hexahydro-1H-pyrrolizine
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Geometry predicted using PM7
ΔHf: -0.9 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
Hexahydro-1H-pyrrolizine
H=-0.93 HR=NIST
N 0.00160048 +1 0.00738925 +1 -0.00770493 +1
C 0.28125161 +1 1.47731724 +1 -0.06214486 +1
C 1.64322182 +1 1.68156828 +1 -0.77035816 +1
C 1.94840847 +1 0.34506753 +1 -1.46079516 +1
C 1.14049434 +1 -0.69211425 +1 -0.65244536 +1
C -1.30751721 +1 -0.22674749 +1 -0.66592532 +1
C -1.66071826 +1 1.02615897 +1 -1.49446961 +1
C -0.89351675 +1 2.16300371 +1 -0.80316412 +1
H 0.33579730 +1 1.82974767 +1 0.99397182 +1
H 2.42416268 +1 1.92834532 +1 -0.03162128 +1
H 1.61892705 +1 2.51584564 +1 -1.48581654 +1
H 3.02292685 +1 0.11517021 +1 -1.46342139 +1
H 1.62433385 +1 0.36207202 +1 -2.51381094 +1
H 1.75561798 +1 -1.10983065 +1 0.17527148 +1
H 0.81822114 +1 -1.54402636 +1 -1.27472629 +1
H -2.04499861 +1 -0.37521006 +1 0.15365994 +1
H -1.31656179 +1 -1.14547678 +1 -1.27624312 +1
H -2.74380926 +1 1.21026955 +1 -1.51804257 +1
H -1.33484575 +1 0.91029646 +1 -2.54077109 +1
H -1.54049222 +1 2.69208114 +1 -0.08390811 +1
H -0.54691557 +1 2.91793782 +1 -1.52260623 +1