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DHf: 70.7 kcal/mol, REF: Assessment of Gaussian-3 and Density Functional Theories for a Larger Test Set" L. A. Curtiss, K. Raghavachari, P. C. Redfern, and J. A. Pople, Journal of Chemical Physics, 112, 7374 (2000).
Cyclooctatetraene H=70.7 HR=G3-99 C -0.00041140 +1 0.0378530 +1 0.0231320 +1 0.0000 C 1.33387707 +1 -0.0647918 +1 0.0275734 +1 0.0000 C 2.11292331 +1 -0.9773959 +1 0.8753784 +1 0.0000 C 2.00917144 +1 -2.3116189 +1 0.8766928 +1 0.0000 C 1.09901970 +1 -3.0952258 +1 0.0305636 +1 0.0000 C -0.23527488 +1 -2.9926241 +1 0.0264958 +1 0.0000 C -1.01981895 +1 -2.0778650 +1 0.8667083 +1 0.0000 C -0.91612236 +1 -0.7434601 +1 0.8653448 +1 0.0000 H -0.50374095 +1 0.7620653 +1 -0.6244512 +1 0.0000 H 1.94644607 +1 0.5738091 +1 -0.6159192 +1 0.0000 H 2.83581640 +1 -0.4720506 +1 1.5227047 +1 0.0000 H 2.64505013 +1 -2.9213035 +1 1.5255742 +1 0.0000 H 1.60621441 +1 -3.8216205 +1 -0.6115461 +1 0.0000 H -0.84387040 +1 -3.6333883 +1 -0.6186655 +1 0.0000 H -1.74707658 +1 -2.5814905 +1 1.5103301 +1 0.0000 H -1.55684880 +1 -0.1324573 +1 1.5080922 +1 0.0000