37 HF ... methylamine 1.10From 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 1.1) 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 0.059051170 0.054971756 3.086389937 H 1.013865638 0.087572798 3.418870379 C -0.616776831 -1.138827731 3.610725747 H -1.639644123 -1.152731243 3.245211787 H -0.117766859 -2.023229963 3.224905285 H -0.634776894 -1.195691083 4.699549743 H -0.390049412 0.890567754 3.437533085 save structure as file.. |
| method | counterpoise corrected | remark | value |
| CCSD(T)/CBS | yes | -13.128 |