10 MeNH2 ... MeNH2 (1.50)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 1.5) 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 3.701045212 -0.656882150 0.316604160 H 3.997313882 -0.382344415 -0.611381083 H 4.324594879 -1.404572466 0.591799023 C 3.861275188 0.478328443 1.230279464 H 3.591084884 0.163632663 2.235932573 H 4.868685499 0.900105002 1.267251198 H 3.168734805 1.264103925 0.937622218 save structure as file.. |
| method | counterpoise corrected | remark | value |
| CCSD(T)/CBS | yes | -1.31 |