Accuracy
6a BuNH4 CB6
116 6a BuNH4 CB6
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Geometry from the BEGDB - the Benchmark Energy and Geometry Database
ΔHf: -77.4 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=1
6a BuNH4 CB6
H=-77.4+"6a BuNH4 CB6 separated.mop" HR=S12L HWT=5
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