37 HF ... methylamine 0.90From 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 0.9) 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 0.047730014 0.043055667 2.743934153 H 1.002544482 0.075656709 3.076414595 C -0.628097987 -1.150743820 3.268269963 H -1.650965279 -1.164647332 2.902756003 H -0.129088015 -2.035146052 2.882449501 H -0.646098050 -1.207607172 4.357093959 H -0.401370568 0.878651665 3.095077301 save structure as file.. |
| method | counterpoise corrected | remark | value |
| CCSD(T)/CBS | yes | -13.501 |