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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required15-Jul-2025CH_c+3_m1_53350279_hessMulks, FlorianOrca; 5.0.4; RELEASESingle point MinimumDFT--36.29765872; Eh
Login required15-Jul-2025CH2_c0_m1_53350286_hessMulks, FlorianOrca; 5.0.4; RELEASESingle point MinimumDFT--39.03196847; Eh
Login required15-Jul-2025geometry_mp2_ch4_CCSDT_def2-TZVP_hessMulks, FlorianOrca; 5.0.4; RELEASESingle point MinimumCCSD(T)def2-TZVP; def2-TZVP/C-40.21301079; Eh
Login required15-Jul-2025geometry_CH3_MP2_DEF2-QZVPP_hessMulks, FlorianOrca; 5.0.4; RELEASESingle point MinimumMP2DEF2-QZVPP; DEF2-QZVPP/C-39.58105290; Eh
Login required15-Jul-2025CH_revDSD-PBEP86-D3BJ_2021_def2-QZVP_hessMulks, FlorianOrca; 6.0.0; RELEASESingle point MinimumDFT--38.38291183658190; Eh
Login required15-Jul-2025CH_revDSD-PBEP86_2021_def2-QZVP_hessMulks, FlorianOrca; 6.0.0; RELEASESingle point MinimumDFT--38.38291183658190; Eh
Login required15-Jul-2025CH_DLPNO-CCSDT_aug-cc-pVQZ_hessMulks, FlorianOrca; 5.0.4; RELEASESingle point MinimumDFT--38.38291334; Eh
Login required15-Jul-2025CH2_revDSD-PBEP86-D3BJ_2021_def2-QZVP_hessMulks, FlorianOrca; 6.0.0; RELEASESingle point MinimumDFT--39.06330438362384; Eh
Login required15-Jul-2025CH2_DLPNO-CCSDT_aug-cc-pVTZ_hessMulks, FlorianOrca; 5.0.4; RELEASESingle point MinimumDFT--39.06330250; Eh
Login required15-Jul-2025CH2_DLPNO-CCSDT_CBSTQ_hessMulks, FlorianOrca; 5.0.4; RELEASESingle point MinimumDFT--39.06330250; Eh
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