!---------------------------------------------------------------------- ! Basis Set Exchange ! Version v0.9.1 ! https://www.basissetexchange.org !---------------------------------------------------------------------- ! Basis set: 6-31++G** ! Description: 6-31G + diffuse and polarization functions on all atoms ! Role: orbital ! Version: 1 (Data from Gaussian 09/GAMESS) !---------------------------------------------------------------------- H 0 S 3 1.00 0.1873113696D+02 0.3349460434D-01 0.2825394365D+01 0.2347269535D+00 0.6401216923D+00 0.8137573261D+00 S 1 1.00 0.1612777588D+00 1.0000000 S 1 1.00 0.3600000000D-01 0.1000000000D+01 P 1 1.00 0.1100000000D+01 1.0000000 **** C 0 S 6 1.00 0.3047524880D+04 0.1834737132D-02 0.4573695180D+03 0.1403732281D-01 0.1039486850D+03 0.6884262226D-01 0.2921015530D+02 0.2321844432D+00 0.9286662960D+01 0.4679413484D+00 0.3163926960D+01 0.3623119853D+00 SP 3 1.00 0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01 0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00 0.5442492580D+00 0.1143456438D+01 0.7443082909D+00 SP 1 1.00 0.1687144782D+00 0.1000000000D+01 0.1000000000D+01 SP 1 1.00 0.4380000000D-01 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.8000000000D+00 1.0000000 **** O 0 S 6 1.00 0.5484671660D+04 0.1831074430D-02 0.8252349460D+03 0.1395017220D-01 0.1880469580D+03 0.6844507810D-01 0.5296450000D+02 0.2327143360D+00 0.1689757040D+02 0.4701928980D+00 0.5799635340D+01 0.3585208530D+00 SP 3 1.00 0.1553961625D+02 -0.1107775495D+00 0.7087426823D-01 0.3599933586D+01 -0.1480262627D+00 0.3397528391D+00 0.1013761750D+01 0.1130767015D+01 0.7271585773D+00 SP 1 1.00 0.2700058226D+00 0.1000000000D+01 0.1000000000D+01 SP 1 1.00 0.8450000000D-01 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.8000000000D+00 1.0000000 ****