PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
methylenecyclopropane
120 Methylenecyclopropane
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ΔHf: 47.9 kcal/mol, REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
SYMMETRY PM7
Methylenecyclopropane
H=47.92,0.44 HR=C&P1970
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.31289350 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.46966743 +1 148.6817034 +1 0.0000000 +0 2 1 0
C 1.46966743 +0 148.6817034 +0 180.0000000 +0 2 1 3
H 1.08024100 +1 123.3123944 +1 180.0000000 +0 1 2 3
H 1.08024100 +0 123.3123944 +0 0.0000000 +0 1 2 3
XX 1.00000000 +0 153.5397628 +1 0.0000000 +0 3 2 1
XX 1.00000000 +0 153.5397628 +0 0.0000000 +0 4 2 1
H 1.08744837 +1 54.9822791 +1 88.6535909 +1 3 7 2
H 1.08744837 +0 54.9822791 +0 -88.6528692 +1 3 7 2
H 1.08744837 +0 54.9822791 +0 88.6472547 +1 4 8 2
H 1.08744837 +0 54.9822791 +0 -88.6479648 +1 4 8 2