The PA subset

Geometries and reference data

• Geometries
  (The README file contains information about charged and open-shell species)
• Reference data

Results

GGA density functionals

• BLYP and BLYP-D
• oBLYP and oBLYP-D
• mPWLYP and mPWLYP-D
• oPWLYP and oPWLYP-D
• PBE and PBE-D
• oPBE and oPBE-D

meta-GGA density functionals

• TPSS and TPSS-D
• oTPSS and oTPSS-D

hybrid density functionals

• B3LYP and B3LYP-D

double-hybrid density functionals

• B2PLYP and B2PLYP-D