37 HF ... methylamine 1.00From 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 1.0) 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 0.053387290 0.049010236 2.915062160 H 1.008201758 0.081611278 3.247542602 C -0.622440711 -1.144789251 3.439397970 H -1.645308003 -1.158692763 3.073884010 H -0.123430739 -2.029191483 3.053577508 H -0.640440774 -1.201652603 4.528221966 H -0.395713292 0.884606234 3.266205308 save structure as file.. |
| method | counterpoise corrected | remark | value |
| CCSD(T)/CBS | yes | -14.138 |