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DHf: -40.3 kcal/mol, REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
I.P.: 11.3 eV, REF: J. N. Murrell, W. Schmidt, J. Chem. Soc., Faraday Trans. 2, 68, 1709 (1972).
SYMMETRY Neopentane HR=C&P1970 I=11.3 H=-40.3 IR=MS1972 C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0.0000 C 1.54117553 +1 0.0000000 +0 0.0000000 +0 1 0 0 0.0000 C 1.54117553 +0 109.4710000 +0 0.0000000 +0 2 1 0 0.0000 H 1.09476211 +1 111.4075864 +1 179.9435004 +1 3 2 1 0.0000 C 1.54117553 +0 109.4743301 +1 59.9475982 +1 2 3 4 0.0000 C 1.54117553 +0 109.4713953 +1 -60.0500570 +1 2 3 4 0.0000 H 1.09476211 +0 111.4075864 +0 59.9398325 +1 3 2 1 0.0000 H 1.09476211 +0 111.4075864 +0 -60.0603350 +1 3 2 1 0.0000 H 1.09476211 +0 111.4075864 +0 -179.9421016 +1 1 2 3 0.0000 H 1.09476211 +0 111.4075864 +0 60.0639332 +1 1 2 3 0.0000 H 1.09476211 +0 111.4075864 +0 -59.9406023 +1 1 2 3 0.0000 H 1.09476211 +0 111.4075864 +0 -179.9705773 +1 5 2 6 0.0000 H 1.09476211 +0 111.4075864 +0 60.0262801 +1 5 2 6 0.0000 H 1.09476211 +0 111.4075864 +0 -59.9707730 +1 5 2 6 0.0000 H 1.09476211 +0 111.4075864 +0 179.9692825 +1 6 2 5 0.0000 H 1.09476211 +0 111.4075864 +0 59.9696877 +1 6 2 5 0.0000 H 1.09476211 +0 111.4075864 +0 -60.0286298 +1 6 2 5 0.0000