10 MeNH2 ... MeNH2 (0.95)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 0.95) 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 2.318675758 -0.443116514 0.189679169 H 2.614944428 -0.168578779 -0.738306074 H 2.942225425 -1.190806830 0.464874032 C 2.478905734 0.692094079 1.103354473 H 2.208715430 0.377398299 2.109007582 H 3.486316045 1.113870638 1.140326207 H 1.786365351 1.477869561 0.810697227 save structure as file.. |
| method | counterpoise corrected | remark | value |
| CCSD(T)/CBS | yes | -4.09 |