37 HF ... methylamine 1.50From Dataset: X40x10: Dissociation curves for the X40 data setDataset reference: Řezáč, J., Riley, K.E., Hobza, P., J. Chem. Theory Comput. (2012), DOI: 10.1021/ct300647k Optimization level: MP2/cc-pVTZ (intermolecular distance scaled by 1.5) Tags: H-bond(X-O), chlorine Structure:
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F -0.071729041 -0.108855435 0.260652232 H -0.003218488 -0.010570213 1.202783243 N 0.081693481 0.078803936 3.771301504 H 1.036507949 0.111404978 4.103781946 C -0.594134520 -1.114995551 4.295637314 H -1.617001812 -1.128899063 3.930123354 H -0.095124548 -1.999397783 3.909816852 H -0.612134583 -1.171858903 5.384461310 H -0.367407101 0.914399934 4.122444652 save structure as file.. |
| method | counterpoise corrected | remark | value |
| CCSD(T)/CBS | yes | -6.843 |