#---------------------------------------------------------------------- # Basis Set Exchange # Version 0.11 # https://www.basissetexchange.org #---------------------------------------------------------------------- # Basis set: aug-cc-pVTZ # Description: aug-cc-pVTZ # Role: orbital # Version: 1 (Data from ccRepo/Grant Hill) #---------------------------------------------------------------------- # Hydrogen aug-cc-pVTZ (6s,3p,2d) -> [4s,3p,2d] H aug-cc-pVTZ 6 1 0 0 5 3 3.387000E+01 0.000000E+00 6.068000E-03 0.000000E+00 5.095000E+00 0.000000E+00 4.530800E-02 0.000000E+00 1.159000E+00 0.000000E+00 2.028220E-01 0.000000E+00 3.258000E-01 1.000000E+00 5.039030E-01 0.000000E+00 1.027000E-01 0.000000E+00 3.834210E-01 1.000000E+00 1 0 0 1 1 0.0252600 1.0000000 1 1 1 2 2 1.407000E+00 1.000000E+00 0.000000E+00 3.880000E-01 0.000000E+00 1.000000E+00 1 1 1 1 1 0.1020000 1.0000000 1 2 2 1 1 1.057000E+00 1.0000000 1 2 2 1 1 0.2470000 1.0000000 # Carbon aug-cc-pVTZ (11s,6p,3d,2f) -> [5s,4p,3d,2f] C aug-cc-pVTZ 8 1 0 0 10 4 8.236000E+03 5.310000E-04 0.000000E+00 -1.130000E-04 0.000000E+00 1.235000E+03 4.108000E-03 0.000000E+00 -8.780000E-04 0.000000E+00 2.808000E+02 2.108700E-02 0.000000E+00 -4.540000E-03 0.000000E+00 7.927000E+01 8.185300E-02 0.000000E+00 -1.813300E-02 0.000000E+00 2.559000E+01 2.348170E-01 0.000000E+00 -5.576000E-02 0.000000E+00 8.997000E+00 4.344010E-01 0.000000E+00 -1.268950E-01 0.000000E+00 3.319000E+00 3.461290E-01 0.000000E+00 -1.703520E-01 0.000000E+00 9.059000E-01 3.937800E-02 1.000000E+00 1.403820E-01 0.000000E+00 3.643000E-01 -8.983000E-03 0.000000E+00 5.986840E-01 0.000000E+00 1.285000E-01 2.385000E-03 0.000000E+00 3.953890E-01 1.000000E+00 1 0 0 1 1 0.0440200 1.0000000 1 1 1 5 3 1.871000E+01 0.000000E+00 1.403100E-02 0.000000E+00 4.133000E+00 0.000000E+00 8.686600E-02 0.000000E+00 1.200000E+00 0.000000E+00 2.902160E-01 0.000000E+00 3.827000E-01 1.000000E+00 5.010080E-01 0.000000E+00 1.209000E-01 0.000000E+00 3.434060E-01 1.000000E+00 1 1 1 1 1 0.0356900 1.0000000 1 2 2 2 2 1.097000E+00 1.000000E+00 0.000000E+00 3.180000E-01 0.000000E+00 1.000000E+00 1 2 2 1 1 0.1000000 1.0000000 1 3 3 1 1 7.610000E-01 1.0000000 1 3 3 1 1 0.2680000 1.0000000 # Oxygen aug-cc-pVTZ (11s,6p,3d,2f) -> [5s,4p,3d,2f] O aug-cc-pVTZ 8 1 0 0 10 4 1.533000E+04 5.080000E-04 0.000000E+00 -1.150000E-04 0.000000E+00 2.299000E+03 3.929000E-03 0.000000E+00 -8.950000E-04 0.000000E+00 5.224000E+02 2.024300E-02 0.000000E+00 -4.636000E-03 0.000000E+00 1.473000E+02 7.918100E-02 0.000000E+00 -1.872400E-02 0.000000E+00 4.755000E+01 2.306870E-01 0.000000E+00 -5.846300E-02 0.000000E+00 1.676000E+01 4.331180E-01 0.000000E+00 -1.364630E-01 0.000000E+00 6.207000E+00 3.502600E-01 0.000000E+00 -1.757400E-01 0.000000E+00 1.752000E+00 4.272800E-02 1.000000E+00 1.609340E-01 0.000000E+00 6.882000E-01 -8.154000E-03 0.000000E+00 6.034180E-01 0.000000E+00 2.384000E-01 2.381000E-03 0.000000E+00 3.787650E-01 1.000000E+00 1 0 0 1 1 0.0737600 1.0000000 1 1 1 5 3 3.446000E+01 0.000000E+00 1.592800E-02 0.000000E+00 7.749000E+00 0.000000E+00 9.974000E-02 0.000000E+00 2.280000E+00 0.000000E+00 3.104920E-01 0.000000E+00 7.156000E-01 1.000000E+00 4.910260E-01 0.000000E+00 2.140000E-01 0.000000E+00 3.363370E-01 1.000000E+00 1 1 1 1 1 0.0597400 1.0000000 1 2 2 2 2 2.314000E+00 1.000000E+00 0.000000E+00 6.450000E-01 0.000000E+00 1.000000E+00 1 2 2 1 1 0.2140000 1.0000000 1 3 3 1 1 1.428000E+00 1.0000000 1 3 3 1 1 0.5000000 1.0000000