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DHf: 47.5 kcal/mol, REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
Dipole: 0.4 Debye, REF: P. A. Baron, R. D. Brown, F. R. Burden, P. J. Domaille, J. E. Kent, J. Mol. Spectrosc., 43, 401 (1970).
SYMMETRY Fulvene D=0.42 H=47.5 HR=C&P1970 DR=BBBDK72 C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0.0000 XX 0.74194209 +1 0.0000000 +0 0.0000000 +0 1 0 0 XX 1.00000000 +0 90.0000000 +0 0.0000000 +0 2 1 0 C 0.74194209 +0 90.0000000 +0 180.0000000 +0 2 3 1 0.0000 C 1.35297489 +1 109.0883707 +1 0.0000000 +0 4 2 3 0.0000 C 1.35297489 +0 109.0883707 +0 0.0000000 +0 1 2 3 0.0000 C 2.18811588 +1 90.0000000 +0 0.0000000 +0 2 4 5 0.0000 XX 1.00000000 +0 90.0000000 +0 0.0000000 +0 7 2 4 C 1.33144048 +1 90.0000000 +0 180.0000000 +0 7 8 2 0.0000 H 1.08120659 +1 123.2371120 +1 0.0000000 +0 9 7 8 0.0000 H 1.08120659 +0 123.2371120 +0 180.0000000 +0 9 7 8 0.0000 H 1.07438132 +1 122.5069430 +1 180.0000000 +0 4 2 3 0.0000 H 1.07438132 +0 122.5069430 +0 180.0000000 +0 1 2 3 0.0000 H 1.07271455 +1 129.0072131 +1 180.0000000 +0 5 4 2 0.0000 H 1.07271455 +0 129.0072131 +0 180.0000000 +0 6 1 2 0.0000