10 MeNH2 ... MeNH2 (1.00)From Dataset: S66x8: Dissociation curves for the S66 datasetDataset reference: Řezáč, J., Riley, K.E., Hobza, P., J. Chem. Theory Comput. (2011), DOI: 10.1021/ct2002946 Optimization level: MP2/cc-pVTZ (intermolecular distance scaled by 1.0) Tags: h-bond Structure:
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N -0.638641380 0.470916372 0.044568477 H 0.189954359 -0.113937162 -0.005773605 H -1.300468945 0.081256802 -0.613668480 C -1.198658820 0.391398577 1.391946599 H -2.092737771 1.009244715 1.453167495 H -1.462745512 -0.615843668 1.729452190 H -0.480275539 0.798674912 2.101087305 N 2.430610125 -0.460425723 0.199956645 H 2.726878795 -0.185887988 -0.728028598 H 3.054159792 -1.208116039 0.475151508 C 2.590840101 0.674784870 1.113631949 H 2.320649797 0.360089090 2.119285058 H 3.598250412 1.096561429 1.150603683 H 1.898299718 1.460560352 0.820974703 save structure as file.. |
| method | counterpoise corrected | remark | value |
| CCSD(T)/CBS | yes | -4.15 |