Accuracy
spiropentane
90 Spiropentane
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Geometry predicted using PM7
ΔHf: 44.3 kcal/mol, REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
SYMMETRY
Spiropentane
H=44.3 HR=C&P1970
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
XX 1.27660623 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 0.76018219 +1 90.0000000 +0 0.0000000 +0 2 1 0
XX 1.00000000 +0 90.0000000 +0 180.0000000 +0 1 2 3
C 0.76018219 +0 90.0000000 +0 0.0000000 +0 2 1 4
XX 1.27660623 +0 90.0000000 +0 180.0000000 +0 1 4 2
C 0.76018219 +0 90.0000000 +0 90.0000000 +0 6 1 4
C 0.76018219 +0 90.0000000 +0 -90.0000000 +0 6 1 4
XX 0.62054457 +1 150.0384904 +1 180.0000000 +0 3 2 1
XX 0.62054457 +0 150.0384904 +0 180.0000000 +0 5 2 1
XX 0.62054457 +0 150.0384904 +0 180.0000000 +0 7 6 1
XX 0.62054457 +0 150.0384904 +0 180.0000000 +0 8 6 1
H 0.89227855 +1 90.0000000 +0 90.0000000 +0 9 3 2
H 0.89227855 +0 90.0000000 +0 -90.0000000 +0 9 3 2
H 0.89227855 +0 90.0000000 +0 -90.0000000 +0 10 5 2
H 0.89227855 +0 90.0000000 +0 90.0000000 +0 10 5 2
H 0.89227855 +0 90.0000000 +0 90.0000000 +0 11 7 6
H 0.89227855 +0 90.0000000 +0 -90.0000000 +0 11 7 6
H 0.89227855 +0 90.0000000 +0 -90.0000000 +0 12 8 6
H 0.89227855 +0 90.0000000 +0 90.0000000 +0 12 8 6
2 1 6
3 1 5 7 8
9 1 10 11 12
9 2 10 11 12
13 1 14 15 16 17 18 19 19 20