10 MeNH2 ... MeNH2 (1.05)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 1.05) 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 2.542741334 -0.477765371 0.210252194 H 2.839010004 -0.203227636 -0.717733049 H 3.166291001 -1.225455687 0.485447057 C 2.702971310 0.657445222 1.123927498 H 2.432781006 0.342749442 2.129580607 H 3.710381621 1.079221781 1.160899232 H 2.010430927 1.443220704 0.831270252 save structure as file.. |
| method | counterpoise corrected | remark | value |
| CCSD(T)/CBS | yes | -4.01 |