

#----------------------------------------------------------------------
# Basis Set Exchange
# Version v0.9.1
# https://www.basissetexchange.org
#----------------------------------------------------------------------
#   Basis set: aug-cc-pVDZ
# Description: aug-cc-pVDZ
#        Role: orbital
#     Version: 1  (Data from ccRepo/Grant Hill)
#----------------------------------------------------------------------


# Hydrogen aug-cc-pVDZ (5s,2p) -> [3s,2p]
H aug-cc-pVDZ
    4
1 0 0 4 2
      1.301000E+01           1.968500E-02           0.000000E+00
      1.962000E+00           1.379770E-01           0.000000E+00
      4.446000E-01           4.781480E-01           0.000000E+00
      1.220000E-01           5.012400E-01           1.000000E+00
1 0 0 1 1
      0.0297400              1.0000000
1 1 1 1 1
      7.270000E-01           1.0000000
1 1 1 1 1
      0.1410000              1.0000000

# Carbon aug-cc-pVDZ (10s,5p,2d) -> [4s,3p,2d]
C aug-cc-pVDZ
    6
1 0 0 9 3
      6.665000E+03           6.920000E-04          -1.460000E-04           0.000000E+00
      1.000000E+03           5.329000E-03          -1.154000E-03           0.000000E+00
      2.280000E+02           2.707700E-02          -5.725000E-03           0.000000E+00
      6.471000E+01           1.017180E-01          -2.331200E-02           0.000000E+00
      2.106000E+01           2.747400E-01          -6.395500E-02           0.000000E+00
      7.495000E+00           4.485640E-01          -1.499810E-01           0.000000E+00
      2.797000E+00           2.850740E-01          -1.272620E-01           0.000000E+00
      5.215000E-01           1.520400E-02           5.445290E-01           0.000000E+00
      1.596000E-01          -3.191000E-03           5.804960E-01           1.000000E+00
1 0 0 1 1
      0.0469000              1.0000000
1 1 1 4 2
      9.439000E+00           3.810900E-02           0.000000E+00
      2.002000E+00           2.094800E-01           0.000000E+00
      5.456000E-01           5.085570E-01           0.000000E+00
      1.517000E-01           4.688420E-01           1.000000E+00
1 1 1 1 1
      0.0404100              1.0000000
1 2 2 1 1
      5.500000E-01           1.0000000
1 2 2 1 1
      0.1510000              1.0000000

# Nitrogen aug-cc-pVDZ (10s,5p,2d) -> [4s,3p,2d]
N aug-cc-pVDZ
    6
1 0 0 9 3
      9.046000E+03           7.000000E-04          -1.530000E-04           0.000000E+00
      1.357000E+03           5.389000E-03          -1.208000E-03           0.000000E+00
      3.093000E+02           2.740600E-02          -5.992000E-03           0.000000E+00
      8.773000E+01           1.032070E-01          -2.454400E-02           0.000000E+00
      2.856000E+01           2.787230E-01          -6.745900E-02           0.000000E+00
      1.021000E+01           4.485400E-01          -1.580780E-01           0.000000E+00
      3.838000E+00           2.782380E-01          -1.218310E-01           0.000000E+00
      7.466000E-01           1.544000E-02           5.490030E-01           0.000000E+00
      2.248000E-01          -2.864000E-03           5.788150E-01           1.000000E+00
1 0 0 1 1
      0.0612400              1.0000000
1 1 1 4 2
      1.355000E+01           3.991900E-02           0.000000E+00
      2.917000E+00           2.171690E-01           0.000000E+00
      7.973000E-01           5.103190E-01           0.000000E+00
      2.185000E-01           4.622140E-01           1.000000E+00
1 1 1 1 1
      0.0561100              1.0000000
1 2 2 1 1
      8.170000E-01           1.0000000
1 2 2 1 1
      0.2300000              1.0000000

# Oxygen aug-cc-pVDZ (10s,5p,2d) -> [4s,3p,2d]
O aug-cc-pVDZ
    6
1 0 0 9 3
      1.172000E+04           7.100000E-04          -1.600000E-04           0.000000E+00
      1.759000E+03           5.470000E-03          -1.263000E-03           0.000000E+00
      4.008000E+02           2.783700E-02          -6.267000E-03           0.000000E+00
      1.137000E+02           1.048000E-01          -2.571600E-02           0.000000E+00
      3.703000E+01           2.830620E-01          -7.092400E-02           0.000000E+00
      1.327000E+01           4.487190E-01          -1.654110E-01           0.000000E+00
      5.025000E+00           2.709520E-01          -1.169550E-01           0.000000E+00
      1.013000E+00           1.545800E-02           5.573680E-01           0.000000E+00
      3.023000E-01          -2.585000E-03           5.727590E-01           1.000000E+00
1 0 0 1 1
      0.0789600              1.0000000
1 1 1 4 2
      1.770000E+01           4.301800E-02           0.000000E+00
      3.854000E+00           2.289130E-01           0.000000E+00
      1.046000E+00           5.087280E-01           0.000000E+00
      2.753000E-01           4.605310E-01           1.000000E+00
1 1 1 1 1
      0.0685600              1.0000000
1 2 2 1 1
      1.185000E+00           1.0000000
1 2 2 1 1
      0.3320000              1.0000000




#----------------------------------------------------------------------
# Basis Set Exchange
# Version v0.9.1
# https://www.basissetexchange.org
#----------------------------------------------------------------------
#   Basis set: aug-cc-pVDZ-RIFIT
# Description: RI Fitting basis for use with aug-cc-pVDZ
#        Role: rifit
#     Version: 1  (Data from Turbomole 7.3)
#----------------------------------------------------------------------


# Hydrogen aug-cc-pVDZ-RIFIT (4s,3p,2d) -> [4s,3p,2d]
H aug-cc-pVDZ-RIFIT
    9
1 0 0 1 1
      5.11588952             1.0000000
1 0 0 1 1
      1.14296528             1.0000000
1 0 0 1 1
      0.29166153             1.0000000
1 0 0 1 1
      0.11272018383          1.0000000
1 1 1 1 1
      1.91496403             1.0000000
1 1 1 1 1
      0.98640124             1.0000000
1 1 1 1 1
      0.28586021512          1.0000000
1 2 2 1 1
      1.17208347             1.0000000
1 2 2 1 1
      0.30382076276          1.0000000

# Carbon aug-cc-pVDZ-RIFIT (8s,6p,5d,3f) -> [8s,6p,5d,3f]
C aug-cc-pVDZ-RIFIT
    22
1 0 0 1 1
     62.7453                 1.0000000
1 0 0 1 1
     13.8045                 1.0000000
1 0 0 1 1
      4.77277                1.0000000
1 0 0 1 1
      1.51333                1.0000000
1 0 0 1 1
      0.782697               1.0000000
1 0 0 1 1
      0.409072               1.0000000
1 0 0 1 1
      0.206796               1.0000000
1 0 0 1 1
      0.73830101918E-01      1.0000000
1 1 1 1 1
     20.8851                 1.0000000
1 1 1 1 1
      6.00523                1.0000000
1 1 1 1 1
      1.7206                 1.0000000
1 1 1 1 1
      0.754465               1.0000000
1 1 1 1 1
      0.321667               1.0000000
1 1 1 1 1
      0.12595256654          1.0000000
1 2 2 1 1
     10.1715                 1.0000000
1 2 2 1 1
      2.67844                1.0000000
1 2 2 1 1
      0.922515               1.0000000
1 2 2 1 1
      0.340842               1.0000000
1 2 2 1 1
      0.11021124893          1.0000000
1 3 3 1 1
      2.74293                1.0000000
1 3 3 1 1
      0.895756               1.0000000
1 3 3 1 1
      0.31714624829          1.0000000

# Nitrogen aug-cc-pVDZ-RIFIT (8s,6p,5d,3f) -> [8s,6p,5d,3f]
N aug-cc-pVDZ-RIFIT
    22
1 0 0 1 1
     87.6864                 1.0000000
1 0 0 1 1
     20.4679                 1.0000000
1 0 0 1 1
      7.62436                1.0000000
1 0 0 1 1
      2.34426                1.0000000
1 0 0 1 1
      1.12324                1.0000000
1 0 0 1 1
      0.723539               1.0000000
1 0 0 1 1
      0.327261               1.0000000
1 0 0 1 1
      0.10361182811          1.0000000
1 1 1 1 1
     29.2373                 1.0000000
1 1 1 1 1
      8.55299                1.0000000
1 1 1 1 1
      2.53364                1.0000000
1 1 1 1 1
      1.09461                1.0000000
1 1 1 1 1
      0.461104               1.0000000
1 1 1 1 1
      0.16968199389          1.0000000
1 2 2 1 1
     12.3278                 1.0000000
1 2 2 1 1
      3.42816                1.0000000
1 2 2 1 1
      1.28537                1.0000000
1 2 2 1 1
      0.47785                1.0000000
1 2 2 1 1
      0.13349941560          1.0000000
1 3 3 1 1
      3.40118                1.0000000
1 3 3 1 1
      1.33473                1.0000000
1 3 3 1 1
      0.41976031664          1.0000000

# Oxygen aug-cc-pVDZ-RIFIT (8s,6p,5d,3f) -> [8s,6p,5d,3f]
O aug-cc-pVDZ-RIFIT
    22
1 0 0 1 1
    109.461                  1.0000000
1 0 0 1 1
     25.5780                 1.0000000
1 0 0 1 1
      9.55148                1.0000000
1 0 0 1 1
      2.93960                1.0000000
1 0 0 1 1
      1.39638                1.0000000
1 0 0 1 1
       .905061               1.0000000
1 0 0 1 1
       .421376               1.0000000
1 0 0 1 1
      0.12179209480          1.0000000
1 1 1 1 1
     36.1292                 1.0000000
1 1 1 1 1
     10.8817                 1.0000000
1 1 1 1 1
      3.20594                1.0000000
1 1 1 1 1
      1.40387                1.0000000
1 1 1 1 1
       .612763               1.0000000
1 1 1 1 1
      0.21144297178          1.0000000
1 2 2 1 1
     15.2511                 1.0000000
1 2 2 1 1
      4.52087                1.0000000
1 2 2 1 1
      1.81221                1.0000000
1 2 2 1 1
       .592201               1.0000000
1 2 2 1 1
      0.16644793680          1.0000000
1 3 3 1 1
      4.22194                1.0000000
1 3 3 1 1
      1.79021                1.0000000
1 3 3 1 1
      0.58460963107          1.0000000




#----------------------------------------------------------------------
# Basis Set Exchange
# Version v0.9.1
# 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

# Nitrogen aug-cc-pVTZ (11s,6p,3d,2f) -> [5s,4p,3d,2f]
N aug-cc-pVTZ
    8
1 0 0 10 4
      1.142000E+04           5.230000E-04           0.000000E+00          -1.150000E-04           0.000000E+00
      1.712000E+03           4.045000E-03           0.000000E+00          -8.950000E-04           0.000000E+00
      3.893000E+02           2.077500E-02           0.000000E+00          -4.624000E-03           0.000000E+00
      1.100000E+02           8.072700E-02           0.000000E+00          -1.852800E-02           0.000000E+00
      3.557000E+01           2.330740E-01           0.000000E+00          -5.733900E-02           0.000000E+00
      1.254000E+01           4.335010E-01           0.000000E+00          -1.320760E-01           0.000000E+00
      4.644000E+00           3.474720E-01           0.000000E+00          -1.725100E-01           0.000000E+00
      1.293000E+00           4.126200E-02           1.000000E+00           1.518140E-01           0.000000E+00
      5.118000E-01          -8.508000E-03           0.000000E+00           5.999440E-01           0.000000E+00
      1.787000E-01           2.384000E-03           0.000000E+00           3.874620E-01           1.000000E+00
1 0 0 1 1
      0.0576000              1.0000000
1 1 1 5 3
      2.663000E+01           0.000000E+00           1.467000E-02           0.000000E+00
      5.948000E+00           0.000000E+00           9.176400E-02           0.000000E+00
      1.742000E+00           0.000000E+00           2.986830E-01           0.000000E+00
      5.550000E-01           1.000000E+00           4.984870E-01           0.000000E+00
      1.725000E-01           0.000000E+00           3.370230E-01           1.000000E+00
1 1 1 1 1
      0.0491000              1.0000000
1 2 2 2 2
      1.654000E+00           1.000000E+00           0.000000E+00
      4.690000E-01           0.000000E+00           1.000000E+00
1 2 2 1 1
      0.1510000              1.0000000
1 3 3 1 1
      1.093000E+00           1.0000000
1 3 3 1 1
      0.3640000              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




#----------------------------------------------------------------------
# Basis Set Exchange
# Version v0.9.1
# https://www.basissetexchange.org
#----------------------------------------------------------------------
#   Basis set: aug-cc-pVTZ-RIFIT
# Description: RI Fitting basis for use with aug-cc-pVTZ
#        Role: rifit
#     Version: 1  (Data from Turbomole 7.3)
#----------------------------------------------------------------------


# Hydrogen aug-cc-pVTZ-RIFIT (5s,4p,3d,2f) -> [5s,4p,3d,2f]
H aug-cc-pVTZ-RIFIT
    14
1 0 0 1 1
      8.5128275910           1.0000000
1 0 0 1 1
      1.8730891166           1.0000000
1 0 0 1 1
      0.52618426941          1.0000000
1 0 0 1 1
      0.28973989936          1.0000000
1 0 0 1 1
      0.12719436063          1.0000000
1 1 1 1 1
      2.3725491635           1.0000000
1 1 1 1 1
      1.1804084468           1.0000000
1 1 1 1 1
      0.60382204241          1.0000000
1 1 1 1 1
      0.23551289521          1.0000000
1 2 2 1 1
      1.8096373189           1.0000000
1 2 2 1 1
      1.1439726055           1.0000000
1 2 2 1 1
      0.43665405053          1.0000000
1 3 3 1 1
      1.8063060576           1.0000000
1 3 3 1 1
      0.25297787763          1.0000000

# Carbon aug-cc-pVTZ-RIFIT (9s,7p,6d,4f,2g) -> [9s,7p,6d,4f,2g]
C aug-cc-pVTZ-RIFIT
    28
1 0 0 1 1
    280.55661188             1.0000000
1 0 0 1 1
     60.230247191            1.0000000
1 0 0 1 1
     22.116650824            1.0000000
1 0 0 1 1
      6.8620932896           1.0000000
1 0 0 1 1
      1.5622549539           1.0000000
1 0 0 1 1
      0.91245045495          1.0000000
1 0 0 1 1
      0.50274917044          1.0000000
1 0 0 1 1
      0.21582348749          1.0000000
1 0 0 1 1
      0.10153627861          1.0000000
1 1 1 1 1
     24.231865176            1.0000000
1 1 1 1 1
      6.4764514185           1.0000000
1 1 1 1 1
      2.1290884677           1.0000000
1 1 1 1 1
      1.0375639746           1.0000000
1 1 1 1 1
      0.54941275046          1.0000000
1 1 1 1 1
      0.28152652231          1.0000000
1 1 1 1 1
      0.11505954436          1.0000000
1 2 2 1 1
      9.7189810815           1.0000000
1 2 2 1 1
      3.0351475003           1.0000000
1 2 2 1 1
      1.4677737562           1.0000000
1 2 2 1 1
      0.57370827909          1.0000000
1 2 2 1 1
      0.29055589668          1.0000000
1 2 2 1 1
      0.14890456005          1.0000000
1 3 3 1 1
      2.2756201303           1.0000000
1 3 3 1 1
      1.1968898852           1.0000000
1 3 3 1 1
      0.54157487216          1.0000000
1 3 3 1 1
      0.20179277037          1.0000000
1 4 4 1 1
      1.2166101638           1.0000000
1 4 4 1 1
      0.43599752945          1.0000000

# Nitrogen aug-cc-pVTZ-RIFIT (9s,7p,6d,4f,2g) -> [9s,7p,6d,4f,2g]
N aug-cc-pVTZ-RIFIT
    28
1 0 0 1 1
    287.50926947             1.0000000
1 0 0 1 1
     64.276030898            1.0000000
1 0 0 1 1
     21.681924016            1.0000000
1 0 0 1 1
      7.9068743193           1.0000000
1 0 0 1 1
      2.4319673913           1.0000000
1 0 0 1 1
      1.2226681474           1.0000000
1 0 0 1 1
      0.76674827356          1.0000000
1 0 0 1 1
      0.31158846994          1.0000000
1 0 0 1 1
      0.10109736226          1.0000000
1 1 1 1 1
     34.965027371            1.0000000
1 1 1 1 1
     10.323896648            1.0000000
1 1 1 1 1
      2.8981582643           1.0000000
1 1 1 1 1
      1.4077404555           1.0000000
1 1 1 1 1
      0.85083386536          1.0000000
1 1 1 1 1
      0.37353274145          1.0000000
1 1 1 1 1
      0.14810183674          1.0000000
1 2 2 1 1
     13.908637089            1.0000000
1 2 2 1 1
      4.5847232531           1.0000000
1 2 2 1 1
      2.2101848651           1.0000000
1 2 2 1 1
      0.83768301209          1.0000000
1 2 2 1 1
      0.41948375608          1.0000000
1 2 2 1 1
      0.13410649139          1.0000000
1 3 3 1 1
      3.4730665788           1.0000000
1 3 3 1 1
      1.5589463548           1.0000000
1 3 3 1 1
      0.84677638239          1.0000000
1 3 3 1 1
      0.28858743337          1.0000000
1 4 4 1 1
      1.7764066281           1.0000000
1 4 4 1 1
      0.59981188305          1.0000000

# Oxygen aug-cc-pVTZ-RIFIT (9s,7p,6d,4f,2g) -> [9s,7p,6d,4f,2g]
O aug-cc-pVTZ-RIFIT
    28
1 0 0 1 1
    366.54531503             1.0000000
1 0 0 1 1
     76.693314858            1.0000000
1 0 0 1 1
     24.573835091            1.0000000
1 0 0 1 1
      8.4165585072           1.0000000
1 0 0 1 1
      3.0202080356           1.0000000
1 0 0 1 1
      1.3331563617           1.0000000
1 0 0 1 1
      0.81250658727          1.0000000
1 0 0 1 1
      0.36505253662          1.0000000
1 0 0 1 1
      0.11211820118          1.0000000
1 1 1 1 1
     52.854386423            1.0000000
1 1 1 1 1
     15.021795824            1.0000000
1 1 1 1 1
      3.9137719482           1.0000000
1 1 1 1 1
      2.1678840611           1.0000000
1 1 1 1 1
      0.97419243984          1.0000000
1 1 1 1 1
      0.51845615412          1.0000000
1 1 1 1 1
      0.21354459926          1.0000000
1 2 2 1 1
     15.907733132            1.0000000
1 2 2 1 1
      5.3799329215           1.0000000
1 2 2 1 1
      2.9552623921           1.0000000
1 2 2 1 1
      1.1624458997           1.0000000
1 2 2 1 1
      0.50353399421          1.0000000
1 2 2 1 1
      0.16734574676          1.0000000
1 3 3 1 1
      4.6873846701           1.0000000
1 3 3 1 1
      2.1512789489           1.0000000
1 3 3 1 1
      1.0894068169           1.0000000
1 3 3 1 1
      0.40383704543          1.0000000
1 4 4 1 1
      2.3270964878           1.0000000
1 4 4 1 1
      0.78655757162          1.0000000


