37 HF ... methylamine 1.05From Dataset: X40x10: Dissociation curves for the X40 data setDataset reference: Řezáč, J., Riley, K.E., Hobza, P., J. Chem. Theory Comput. (2012), DOI: 10.1021/ct300647k Optimization level: MP2/cc-pVTZ (intermolecular distance scaled by 1.05) Tags: H-bond(X-O), chlorine Structure:
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F -0.071729041 -0.108855435 0.260652232 H -0.003218488 -0.010570213 1.202783243 N 0.056220881 0.051992734 3.000775991 H 1.011035349 0.084593776 3.333256433 C -0.619607120 -1.141806753 3.525111801 H -1.642474412 -1.155710265 3.159597841 H -0.120597148 -2.026208985 3.139291339 H -0.637607183 -1.198670105 4.613935797 H -0.392879701 0.887588732 3.351919139 save structure as file.. |
| method | counterpoise corrected | remark | value |
| CCSD(T)/CBS | yes | -13.756 |