37 HF ... methylamine 1.25From 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 1.25) 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 0.067542037 0.063908824 3.343231774 H 1.022356505 0.096509866 3.675712216 C -0.608285964 -1.129890663 3.867567584 H -1.631153256 -1.143794175 3.502053624 H -0.109275992 -2.014292895 3.481747122 H -0.626286027 -1.186754015 4.956391580 H -0.381558545 0.899504822 3.694374922 save structure as file.. |
| method | counterpoise corrected | remark | value |
| CCSD(T)/CBS | yes | -10.657 |