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10 MeNH2 ... MeNH2 (1.10)

From Dataset: S66x8: Dissociation curves for the S66 dataset

Dataset 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 1.1)

Tags: h-bond


Structure:

14

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    2.654774123  -0.495089799   0.220538707
H    2.951042793  -0.220552064  -0.707446536
H    3.278323790  -1.242780115   0.495733570
C    2.815004099   0.640120794   1.134214011
H    2.544813795   0.325425014   2.139867120
H    3.822414410   1.061897353   1.171185745
H    2.122463716   1.425896276   0.841556765

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Energies:

method counterpoise corrected remark value
CCSD(T)/CBS yes -3.75