Accuracy
3a TNF pincer
110 3a TNF pincer
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Geometry from the BEGDB - the Benchmark Energy and Geometry Database
ΔHf: -24.3 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
3a TNF pincer
H=-24.3+"3a TNF pincer separated.mop" HR=S12L HWT=5
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