| 2:04:22 PM PDT - Fri, Mar 16th 2018 |
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1. The Gaussian contraction coefficients change for the tight functions of the cc-pV(D+d)Z and cc-pCVDZ basis sets, depending on what program the basis set is being exported for. MOLCAS export reports that the exponent 0.157 for the s shell has four nonzero contraction coefficients, but Dalton (and most other programs) exports only give the 0.157 exponent a single nonzero contraction coefficient. I've seen the same problem in cc-pCVTZ, and it likely afflicts most of the correlation consistent basis sets.
2. For some reason, the ACESII basis sets are rounded one digit more than in the proper basis sets.
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