10 MeNH2 ... MeNH2 (1.25)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 1.25) 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 2.990872488 -0.547063083 0.251398244 H 3.287141158 -0.272525348 -0.676586999 H 3.614422155 -1.294753399 0.526593107 C 3.151102464 0.588147510 1.165073548 H 2.880912160 0.273451730 2.170726657 H 4.158512775 1.009924069 1.202045282 H 2.458562081 1.373922992 0.872416302 save structure as file.. |
| method | counterpoise corrected | remark | value |
| CCSD(T)/CBS | yes | -2.79 |