37 HF ... methylamine 2.00From 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 2.0) 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 0.109996370 0.108594161 4.627440962 H 1.064810838 0.141195203 4.959921404 C -0.565831631 -1.085205326 5.151776772 H -1.588698923 -1.099108838 4.786262812 H -0.066821659 -1.969607558 4.765956310 H -0.583831694 -1.142068678 6.240600768 H -0.339104212 0.944190159 4.978584110 save structure as file.. |
| method | counterpoise corrected | remark | value |
| CCSD(T)/CBS | yes | -2.805 |