QFFdb

• Home
• Members
• Publications
• Resources
• Acknowledgments
• QFFdb

• HC₂OH
• CCSD(T)-F12b/cc-pVTZ-F12
• CcCR

• Al₂O₂
• CCSD(T)-F12b/cc-pVTZ-F12
• CCSD(T)-F12b/cc-pCVTZ-F12

• SiO₂
• CCSD(T)-F12b/cc-pVTZ-F12

• Ca₂O₂
• CCSD(T)-F12b/cc-pVTZ-F12

• Mg₂O₂
• CCSD(T)-F12b/cc-pVTZ-F12
• CCSD(T)-F12b/cc-pCVTZ-F12

• HOOH
• CcCR
• CCSD(T)-F12b/cc-pVTZ-F12

• i-HCSH
• CCSD(T)-F12b/cc-pVTZ-F12 (3A)

• Si₂O₂
• CCSD(T)-F12b/cc-pVTZ-F12
• CCSD(T)-F12b/cc-pCVTZ-F12

• HSSH
• CcCR
• CCSD(T)-F12b/cc-pVTZ-F12

• Si₂O₄
• CCSD(T)-F12b/cc-pVTZ-F12

• S₂O₂
• CCSD(T)-F12b/cc-pVTZ-F12
• CCSD(T)-F12b/cc-pCVTZ-F12

• Ti₂O₂
• CCSD(T)-F12b/cc-pVTZ-F12

• trans-HCSH
• CCSD(T)-F12b/cc-pVTZ-F12

• HSiAlO₂
• CCSD(T)-F12b/cc-pVTZ-F12

• HOSH
• CcCR
• CCSD(T)-F12b/cc-pVTZ-F12

• H₂SC
• CCSD(T)-F12b/cc-pVTZ-F12

• HAlSiO₂
• CCSD(T)-F12b/cc-pVTZ-F12

• HMgAlO₂
• CCSD(T)-F12b/cc-pVTZ-F12

• BH₃NH₃
• CCSD(T)-F12b/cc-pVTZ-F12

• H₂SC
• CCSD(T)-F12b/cc-pVTZ-F12 (3A'')

• P₂O₂
• CCSD(T)-F12b/cc-pVTZ-F12
• CCSD(T)-F12b/cc-pCVTZ-F12

• cis-HCSH
• CCSD(T)-F12b/cc-pVTZ-F12

• HAlSiO₃
• CCSD(T)-F12b/cc-pVTZ-F12

• HAlMgO₂
• CCSD(T)-F12b/cc-pVTZ-F12

• C₄H₃⁺
• CCSD(T)-F12b/cc-pVDZ-F12 (0.005)
• CCSD(T)-F12b/cc-pVDZ-F12 (0.0075)
• CCSD(T)-F12b/cc-pVDZ-F12 (0.010)
• CCSD(T)-F12b/cc-pVDZ-F12 (0.020)
• CCSD(T)-F12b/cc-pVDZ-F12 (0.040)
• CCSD(T)-F12b/cc-pVTZ-F12 (0.020)
• CCSD(T)-F12b/aug-cc-pVTZ (0.020)

• H₂CS
• CCSD(T)-F12b/cc-pVTZ-F12

• Cl₂O₂
• CCSD(T)-F12b/cc-pVTZ-F12

• HOOF
• CCSD(T)-F12b/cc-pVTZ-F12
• T-cCR

• HSiMgO₂H
• CCSD(T)-F12b/cc-pVTZ-F12

• Si₂O₃
• CCSD(T)-F12b/cc-pVTZ-F12

• c-MgC₂H₂
• CCSD(T)-F12b/cc-pVTZ-F12 (³B₂)

• SiO₃
• CCSD(T)-F12b/cc-pVTZ-F12

• c-MgC₂H₂
• CCSD(T)-F12b/cc-pVTZ-F12 (¹A₁)