10 MeNH2 ... MeNH2 (0.90)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 0.9) 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 2.206642969 -0.425792086 0.179392657 H 2.502911639 -0.151254351 -0.748592586 H 2.830192636 -1.173482402 0.454587520 C 2.366872945 0.709418507 1.093067961 H 2.096682641 0.394722727 2.098721070 H 3.374283256 1.131195066 1.130039695 H 1.674332562 1.495193989 0.800410715 save structure as file.. |
| method | counterpoise corrected | remark | value |
| CCSD(T)/CBS | yes | -3.7 |