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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 30-May-2021 | /benchmarking/M06_L_6_311+Gdp NiCODdppf | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06L | 6-311+G(D,P) GENECP | -5079.4442797; Eh | |||
![]() | 30-May-2021 | /benchmarking/M06_L_6_311+Gdp Nidppf2 | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06L | 6-311+G(D,P) GENECP | -8026.4533814; Eh | |||
![]() | 30-May-2021 | /benchmarking/M06_L_6_311+Gdp dppf | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06L | 6-311+G(D,P) GENECP | -3259.0574076; Eh | |||
![]() | 30-May-2021 | /benchmarking/M06_L_6_311+Gdp COD | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06L | 6-311+G(D,P) GENECP | -312.0715822; Eh |
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