Accuracy
7a FECP CB7
118 7a FECP CB7
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Geometry from the BEGDB - the Benchmark Energy and Geometry Database
ΔHf: -131.5 kcal/mol, REF: T. Risthaus and S. Grimme, Benchmarking of London Dispersion-Accounting Density Functional Theory Methods on Very Large Molecular Complexes. JCTC, 9, 1580 (2013)
0SCF HTML CHARGE=2
7a FECP CB7
H=-131.5+"7a FECP CB7 separated.mop" HR=S12L HWT=5
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