# BSE Version 0.11.dev17+g4fabcd53
# Data downloaded on 2024-11-21T16:45
# cc-pCV5Z version number 0
# Description: cc-pCV5Z
# Role: orbital
# 
#  If you downloaded data from the basis set
#  exchange or used the basis set exchange python library, please cite:
# 
# pritchard2019a
#     Pritchard, Benjamin P., Altarawy, Doaa, Didier, Brett, Gibsom, Tara
#             D., Windus, Theresa L.
#     A New Basis Set Exchange: An Open, Up-to-date Resource for the
#             Molecular Sciences Community
#     J. Chem. Inf. Model. 59, 4814-4820 (2019)
#     10.1021/acs.jcim.9b00725
# 
# feller1996a
#     Feller, David
#     The role of databases in support of computational chemistry
#             calculations
#     J. Comput. Chem. 17, 1571-1586 (1996)
#     10.1002/(SICI)1096-987X(199610)17:13<1571::AID-JCC9>3.0.CO;2-P
# 
# schuchardt2007a
#     Schuchardt, Karen L., Didier, Brett T., Elsethagen, Todd, Sun, Lisong,
#             Gurumoorthi, Vidhya, Chase, Jared, Li, Jun, Windus, Theresa L.
#     Basis Set Exchange: A Community Database for Computational Sciences
#     J. Chem. Inf. Model. 47, 1045-1052 (2007)
#     10.1021/ci600510j
# 
# 
#  References for the basis set
# 
#  B-Ne
#      cc-pV5Z
#          dunning1989a
# 
#      Core/valence Functions (cc-pCV5Z)
#          dunning1989a
# 
#  Na,Mg
#      cc-pV5Z
#          feller1996a schuchardt2007a
# 
#      Core/valence Functions (cc-pCV5Z)
#          feller1996a schuchardt2007a
# 
#  Al-Ar
#      cc-pCV5Z
#          woon1993a peterson2002a
# 
#  Ca
#      cc-pCV5Z
#          koput2002a
# 
# 
# 
# dunning1989a
#     Dunning, Thom H.
#     Gaussian basis sets for use in correlated molecular calculations. I.
#             The atoms boron through neon and hydrogen
#     J. Chem. Phys. 90, 1007-1023 (1989)
#     10.1063/1.456153
# 
# feller1996a
#     Feller, David
#     The role of databases in support of computational chemistry
#             calculations
#     J. Comput. Chem. 17, 1571-1586 (1996)
#     10.1002/(SICI)1096-987X(199610)17:13<1571::AID-JCC9>3.0.CO;2-P
# 
# koput2002a
#     Koput, Jacek, Peterson, Kirk A.
#     Ab Initio Potential Energy Surface and Vibrational-Rotational Energy
#             Levels of X2Σ+CaOH
#     J. Phys. Chem. A 106, 9595-9599 (2002)
#     10.1021/jp026283u
# 
# peterson2002a
#     Peterson, Kirk A., Dunning, Thom H.
#     Accurate correlation consistent basis sets for molecular core-valence
#             correlation effects: The second row atoms Al-Ar, and the first
#             row atoms B-Ne revisited
#     J. Chem. Phys. 117, 10548-10560 (2002)
#     10.1063/1.1520138
# 
# schuchardt2007a
#     Schuchardt, Karen L., Didier, Brett T., Elsethagen, Todd, Sun, Lisong,
#             Gurumoorthi, Vidhya, Chase, Jared, Li, Jun, Windus, Theresa L.
#     Basis Set Exchange: A Community Database for Computational Sciences
#     J. Chem. Inf. Model. 47, 1045-1052 (2007)
#     10.1021/ci600510j
# 
# woon1993a
#     Woon, David E., Dunning, Thom H.
#     Gaussian basis sets for use in correlated molecular calculations. III.
#             The atoms aluminum through argon
#     J. Chem. Phys. 98, 1358-1371 (1993)
#     10.1063/1.464303
# 
# # 
basis "B_cc-pCV5Z" SPHERICAL 
#basis SET: (28s,12p,7d,5f,3g,1h) -> [10s,9p,7d,5f,3g,1h]
B    S
     74.4960000              1.0000000
B    S
     32.8900000              1.0000000
B    S
     14.5210000              1.0000000
B    S
      6.4110000              1.0000000
B    S
  68260.0000000              0.0000240
  10230.0000000              0.0001850
   2328.0000000              0.0009700
    660.4000000              0.0040560
    216.2000000              0.0143990
     78.6000000              0.0439010
     30.9800000              0.1130570
     12.9600000              0.2338250
      5.6590000              0.3539600
      2.5560000              0.3015470
B    S
  68260.0000000             -0.0000050
  10230.0000000             -0.0000370
   2328.0000000             -0.0001960
    660.4000000             -0.0008240
    216.2000000             -0.0029230
     78.6000000             -0.0091380
     30.9800000             -0.0241050
     12.9600000             -0.0547550
      5.6590000             -0.0969430
      2.5560000             -0.1374850
B    S
      1.1750000              1.0000000
B    S
      0.4249000              1.0000000
B    S
      0.1712000              1.0000000
B    S
      0.0691300              1.0000000
B    P
     86.4670000              1.0000000
B    P
     33.8160000              1.0000000
B    P
     13.2250000              1.0000000
B    P
      5.1720000              1.0000000
B    P
     66.4400000              0.0008380
     15.7100000              0.0064090
      4.9360000              0.0280810
      1.7700000              0.0921520
B    P
      0.7008000              1.0000000
B    P
      0.2901000              1.0000000
B    P
      0.1211000              1.0000000
B    P
      0.0497300              1.0000000
B    D
     55.0420000              1.0000000
B    D
     19.7210000              1.0000000
B    D
      7.0660000              1.0000000
B    D
      2.0100000              1.0000000
B    D
      0.7960000              1.0000000
B    D
      0.3160000              1.0000000
B    D
      0.1250000              1.0000000
B    F
     33.0900000              1.0000000
B    F
      9.9940000              1.0000000
B    F
      1.2150000              1.0000000
B    F
      0.5250000              1.0000000
B    F
      0.2270000              1.0000000
B    G
     24.0200000              1.0000000
B    G
      1.1240000              1.0000000
B    G
      0.4610000              1.0000000
B    H
      0.8340000              1.0000000
end
basis "C_cc-pCV5Z" SPHERICAL 
#basis SET: (28s,12p,7d,5f,3g,1h) -> [10s,9p,7d,5f,3g,1h]
C    S
    106.5880000              1.0000000
C    S
     47.0800000              1.0000000
C    S
     20.7950000              1.0000000
C    S
      9.1850000              1.0000000
C    S
  96770.0000000              0.0000250
  14500.0000000              0.0001900
   3300.0000000              0.0010000
    935.8000000              0.0041830
    306.2000000              0.0148590
    111.3000000              0.0453010
     43.9000000              0.1165040
     18.4000000              0.2402490
      8.0540000              0.3587990
      3.6370000              0.2939410
C    S
  96770.0000000             -0.0000050
  14500.0000000             -0.0000410
   3300.0000000             -0.0002130
    935.8000000             -0.0008970
    306.2000000             -0.0031870
    111.3000000             -0.0099610
     43.9000000             -0.0263750
     18.4000000             -0.0600010
      8.0540000             -0.1068250
      3.6370000             -0.1441660
C    S
      1.6560000              1.0000000
C    S
      0.6333000              1.0000000
C    S
      0.2545000              1.0000000
C    S
      0.1019000              1.0000000
C    P
    125.8040000              1.0000000
C    P
     49.5100000              1.0000000
C    P
     19.4840000              1.0000000
C    P
      7.6680000              1.0000000
C    P
    101.8000000              0.0008910
     24.0400000              0.0069760
      7.5710000              0.0316690
      2.7320000              0.1040060
C    P
      1.0850000              1.0000000
C    P
      0.4496000              1.0000000
C    P
      0.1876000              1.0000000
C    P
      0.0760600              1.0000000
C    D
     78.6950000              1.0000000
C    D
     28.0650000              1.0000000
C    D
     10.0090000              1.0000000
C    D
      3.1340000              1.0000000
C    D
      1.2330000              1.0000000
C    D
      0.4850000              1.0000000
C    D
      0.1910000              1.0000000
C    F
     41.5690000              1.0000000
C    F
     11.6930000              1.0000000
C    F
      2.0060000              1.0000000
C    F
      0.8380000              1.0000000
C    F
      0.3500000              1.0000000
C    G
     32.7800000              1.0000000
C    G
      1.7530000              1.0000000
C    G
      0.6780000              1.0000000
C    H
      1.2590000              1.0000000
end
basis "N_cc-pCV5Z" SPHERICAL 
#basis SET: (28s,12p,7d,5f,3g,1h) -> [10s,9p,7d,5f,3g,1h]
N    S
    143.0130000              1.0000000
N    S
     63.0850000              1.0000000
N    S
     27.8270000              1.0000000
N    S
     12.2750000              1.0000000
N    S
 129200.0000000              0.0000250
  19350.0000000              0.0001970
   4404.0000000              0.0010320
   1248.0000000              0.0043250
    408.0000000              0.0153800
    148.2000000              0.0468670
     58.5000000              0.1201160
     24.5900000              0.2456950
     10.8100000              0.3613790
      4.8820000              0.2872830
N    S
 129200.0000000             -0.0000060
  19350.0000000             -0.0000430
   4404.0000000             -0.0002270
   1248.0000000             -0.0009580
    408.0000000             -0.0034160
    148.2000000             -0.0106670
     58.5000000             -0.0282790
     24.5900000             -0.0640200
     10.8100000             -0.1139320
      4.8820000             -0.1469950
N    S
      2.1950000              1.0000000
N    S
      0.8715000              1.0000000
N    S
      0.3504000              1.0000000
N    S
      0.1397000              1.0000000
N    P
    173.4250000              1.0000000
N    P
     68.6560000              1.0000000
N    P
     27.1800000              1.0000000
N    P
     10.7600000              1.0000000
N    P
    147.0000000              0.0008920
     34.7600000              0.0070820
     11.0000000              0.0328160
      3.9950000              0.1082090
N    P
      1.5870000              1.0000000
N    P
      0.6533000              1.0000000
N    P
      0.2686000              1.0000000
N    P
      0.1067000              1.0000000
N    D
    108.6850000              1.0000000
N    D
     39.0810000              1.0000000
N    D
     14.0530000              1.0000000
N    D
      4.6470000              1.0000000
N    D
      1.8130000              1.0000000
N    D
      0.7070000              1.0000000
N    D
      0.2760000              1.0000000
N    F
     52.6900000              1.0000000
N    F
     14.3570000              1.0000000
N    F
      2.9420000              1.0000000
N    F
      1.2040000              1.0000000
N    F
      0.4930000              1.0000000
N    G
     41.1200000              1.0000000
N    G
      2.5110000              1.0000000
N    G
      0.9420000              1.0000000
N    H
      1.7680000              1.0000000
end
basis "O_cc-pCV5Z" SPHERICAL 
#basis SET: (28s,12p,7d,5f,3g,1h) -> [10s,9p,7d,5f,3g,1h]
O    S
    188.6200000              1.0000000
O    S
     82.2590000              1.0000000
O    S
     35.8740000              1.0000000
O    S
 164200.0000000              0.0000260
  24590.0000000              0.0002050
   5592.0000000              0.0010760
   1582.0000000              0.0045220
    516.1000000              0.0161080
    187.2000000              0.0490850
     73.9300000              0.1248570
     31.2200000              0.2516860
     13.8100000              0.3624200
      6.2560000              0.2790510
O    S
     15.6450000              1.0000000
O    S
 164200.0000000             -0.0000060
  24590.0000000             -0.0000460
   5592.0000000             -0.0002440
   1582.0000000             -0.0010310
    516.1000000             -0.0036880
    187.2000000             -0.0115140
     73.9300000             -0.0304350
     31.2200000             -0.0681470
     13.8100000             -0.1203680
      6.2560000             -0.1482600
O    S
      2.7760000              1.0000000
O    S
      1.1380000              1.0000000
O    S
      0.4600000              1.0000000
O    S
      0.1829000              1.0000000
O    P
    225.6300000              1.0000000
O    P
     89.4290000              1.0000000
O    P
     35.4460000              1.0000000
O    P
     14.0490000              1.0000000
O    P
    195.5000000              0.0009180
     46.1600000              0.0073880
     14.5800000              0.0349580
      5.2960000              0.1154310
O    P
      2.0940000              1.0000000
O    P
      0.8471000              1.0000000
O    P
      0.3368000              1.0000000
O    P
      0.1285000              1.0000000
O    D
    134.0560000              1.0000000
O    D
     47.3200000              1.0000000
O    D
     16.7030000              1.0000000
O    D
      5.8790000              1.0000000
O    D
      2.3070000              1.0000000
O    D
      0.9050000              1.0000000
O    D
      0.3550000              1.0000000
O    F
     65.5460000              1.0000000
O    F
     17.3540000              1.0000000
O    F
      4.0160000              1.0000000
O    F
      1.5540000              1.0000000
O    F
      0.6010000              1.0000000
O    G
     48.5780000              1.0000000
O    G
      3.3500000              1.0000000
O    G
      1.1890000              1.0000000
O    H
      2.3190000              1.0000000
end
basis "F_cc-pCV5Z" SPHERICAL 
#basis SET: (28s,12p,7d,5f,3g,1h) -> [10s,9p,7d,5f,3g,1h]
F    S
    228.8240000              1.0000000
F    S
    101.3390000              1.0000000
F    S
     44.8800000              1.0000000
F    S
 211400.0000000              0.0000260
  31660.0000000              0.0002010
   7202.0000000              0.0010560
   2040.0000000              0.0044320
    666.4000000              0.0157660
    242.0000000              0.0481120
     95.5300000              0.1232320
     40.2300000              0.2515190
     17.7200000              0.3645250
      8.0050000              0.2797660
F    S
     19.8760000              1.0000000
F    S
 211400.0000000             -0.0000060
  31660.0000000             -0.0000470
   7202.0000000             -0.0002440
   2040.0000000             -0.0010310
    666.4000000             -0.0036830
    242.0000000             -0.0115130
     95.5300000             -0.0306630
     40.2300000             -0.0695720
     17.7200000             -0.1239920
      8.0050000             -0.1502140
F    S
      3.5380000              1.0000000
F    S
      1.4580000              1.0000000
F    S
      0.5887000              1.0000000
F    S
      0.2324000              1.0000000
F    P
    277.9380000              1.0000000
F    P
    110.1620000              1.0000000
F    P
     43.6630000              1.0000000
F    P
     17.3060000              1.0000000
F    P
    241.9000000              0.0010020
     57.1700000              0.0080540
     18.1300000              0.0380480
      6.6240000              0.1237790
F    P
      2.6220000              1.0000000
F    P
      1.0570000              1.0000000
F    P
      0.4176000              1.0000000
F    P
      0.1574000              1.0000000
F    D
    170.8900000              1.0000000
F    D
     60.9550000              1.0000000
F    D
     21.7310000              1.0000000
F    D
      7.7600000              1.0000000
F    D
      3.0320000              1.0000000
F    D
      1.1850000              1.0000000
F    D
      0.4630000              1.0000000
F    F
     82.2900000              1.0000000
F    F
     22.3370000              1.0000000
F    F
      5.3980000              1.0000000
F    F
      2.0780000              1.0000000
F    F
      0.8000000              1.0000000
F    G
     49.7270000              1.0000000
F    G
      4.3380000              1.0000000
F    G
      1.5130000              1.0000000
F    H
      2.9950000              1.0000000
end
basis "Ne_cc-pCV5Z" SPHERICAL 
#basis SET: (28s,12p,7d,5f,3g,1h) -> [10s,9p,7d,5f,3g,1h]
Ne    S
    276.5710000              1.0000000
Ne    S
    122.9750000              1.0000000
Ne    S
     54.6800000              1.0000000
Ne    S
 262700.0000000              0.0000260
  39350.0000000              0.0002000
   8955.0000000              0.0010500
   2538.0000000              0.0044000
    829.9000000              0.0156490
    301.5000000              0.0477580
    119.0000000              0.1229430
     50.0000000              0.2524830
     21.9800000              0.3663140
      9.8910000              0.2796170
Ne    S
     24.3130000              1.0000000
Ne    S
 262700.0000000             -0.0000060
  39350.0000000             -0.0000470
   8955.0000000             -0.0002470
   2538.0000000             -0.0010380
    829.9000000             -0.0037110
    301.5000000             -0.0115930
    119.0000000             -0.0310860
     50.0000000             -0.0709720
     21.9800000             -0.1272660
      9.8910000             -0.1512310
Ne    S
      4.3270000              1.0000000
Ne    S
      1.8040000              1.0000000
Ne    S
      0.7288000              1.0000000
Ne    S
      0.2867000              1.0000000
Ne    P
    341.4140000              1.0000000
Ne    P
    135.4280000              1.0000000
Ne    P
     53.7200000              1.0000000
Ne    P
     21.3090000              1.0000000
Ne    P
    299.1000000              0.0010380
     70.7300000              0.0083750
     22.4800000              0.0396930
      8.2460000              0.1280560
Ne    P
      3.2690000              1.0000000
Ne    P
      1.3150000              1.0000000
Ne    P
      0.5158000              1.0000000
Ne    P
      0.1918000              1.0000000
Ne    D
    212.1760000              1.0000000
Ne    D
     75.7500000              1.0000000
Ne    D
     27.0440000              1.0000000
Ne    D
      9.8370000              1.0000000
Ne    D
      3.8440000              1.0000000
Ne    D
      1.5020000              1.0000000
Ne    D
      0.5870000              1.0000000
Ne    F
    102.5860000              1.0000000
Ne    F
     28.0290000              1.0000000
Ne    F
      7.0900000              1.0000000
Ne    F
      2.7380000              1.0000000
Ne    F
      1.0570000              1.0000000
Ne    G
     38.7940000              1.0000000
Ne    G
      5.4600000              1.0000000
Ne    G
      1.8800000              1.0000000
Ne    H
      3.7760000              1.0000000
end
basis "Na_cc-pCV5Z" SPHERICAL 
#basis SET: (52s,24p,8d,6f,4g,2h) -> [11s,10p,8d,6f,4g,2h]
Na    S
    157.4890000              1.00000000
Na    S
     27.9270000              1.0000000
Na    S
1224000.0000000              0.00000500
 183200.0000000              0.00003700
  41700.0000000              0.00019600
  11810.0000000              0.00082700
   3853.0000000              0.00300300
   1391.0000000              0.00970300
    542.5000000              0.02823400
    224.9000000              0.07320600
     97.9300000              0.16289700
     44.3100000              0.28870800
     20.6500000              0.34682900
      9.7290000              0.20686500
      4.2280000              0.03280100
      1.9690000             -0.00064800
      0.8890000              0.00145900
Na    S
      4.9520000              1.0000000
Na    S
1224000.0000000             -0.00000100
 183200.0000000             -0.00000900
  41700.0000000             -0.00004800
  11810.0000000             -0.00020200
   3853.0000000             -0.00073600
   1391.0000000             -0.00238700
    542.5000000             -0.00705000
    224.9000000             -0.01878600
     97.9300000             -0.04461500
     44.3100000             -0.08977400
     20.6500000             -0.14294000
      9.7290000             -0.12431500
      4.2280000              0.09996500
      1.9690000              0.41708000
      0.8890000              0.47512300
Na    S
 183200.0000000              0.00000100
  41700.0000000              0.00000700
  11810.0000000              0.00003000
   3853.0000000              0.00011100
   1391.0000000              0.00035900
    542.5000000              0.00106300
    224.9000000              0.00282700
     97.9300000              0.00676700
     44.3100000              0.01364800
     20.6500000              0.02228100
      9.7290000              0.01960100
      4.2280000             -0.01677100
      1.9690000             -0.07737300
      0.8890000             -0.11350100
Na    S
      0.8780000              1.0000000
Na    S
      0.3964000              1.0000000
Na    S
      0.0699300              1.0000000
Na    S
      0.0328900              1.0000000
Na    S
      0.0161200              1.0000000
Na    P
      9.8690000              1.0000000
Na    P
      4.4140000              1.0000000
Na    P
      1.9740000              1.0000000
Na    P
    413.4000000              0.00090800
     97.9800000              0.00741800
     31.3700000              0.03574600
     11.6200000              0.11852000
      4.6710000              0.26140300
      1.9180000              0.37839500
      0.7775000              0.33463200
      0.3013000              0.12684400
Na    P
    413.4000000             -0.00009000
     97.9800000             -0.00073900
     31.3700000             -0.00357300
     11.6200000             -0.01201400
      4.6710000             -0.02671800
      1.9180000             -0.03927500
      0.7775000             -0.03760800
      0.3013000             -0.04332300
Na    P
      0.8830000              1.0000000
Na    P
      0.2275000              1.0000000
Na    P
      0.0752700              1.0000000
Na    P
      0.0312600              1.0000000
Na    P
      0.0134200              1.0000000
Na    D
     14.4010000              1.0000000
Na    D
      6.1840000              1.0000000
Na    D
      2.6560000              1.0000000
Na    D
      1.1400000              1.0000000
Na    D
      0.2734000              1.0000000
Na    D
      0.1538000              1.0000000
Na    D
      0.0865000              1.0000000
Na    D
      0.0487000              1.0000000
Na    F
     10.5240000              1.0000000
Na    F
      4.4050000              1.0000000
Na    F
      1.8440000              1.0000000
Na    F
      0.4000000              1.0000000
Na    F
      0.1912000              1.0000000
Na    F
      0.1036000              1.0000000
Na    G
      7.3260000              1.0000000
Na    G
      2.7270000              1.0000000
Na    G
      0.4250000              1.0000000
Na    G
      0.1722000              1.0000000
Na    H
      5.1330000              1.0000000
Na    H
      0.2000000              1.0000000
end
basis "Mg_cc-pCV5Z" SPHERICAL 
#basis SET: (56s,28p,8d,6f,4g,2h) -> [11s,10p,8d,6f,4g,2h]
Mg    S
2968000.0000000              0.197177E-05
 444300.0000000              0.153362E-04
 101100.0000000              0.806852E-04
  28640.0000000              0.340771E-03
   9343.0000000              0.124194E-02
   3373.0000000              0.404124E-02
   1316.0000000              0.119797E-01
    545.8000000              0.324253E-01
    238.1000000              0.789332E-01
    108.2000000              0.166575E+00
     50.8000000              0.282871E+00
     24.4800000              0.331890E+00
     11.9300000              0.203287E+00
      5.5430000              0.382897E-01
      2.6750000              0.308916E-03
      1.2630000              0.138907E-02
Mg    S
     14.3960000              1.0000000
Mg    S
      8.1290000              1.0000000
Mg    S
      4.5900000              1.0000000
Mg    S
      2.5920000              1.0000000
Mg    S
2968000.0000000             -0.498160E-06
 444300.0000000             -0.387563E-05
 101100.0000000             -0.203854E-04
  28640.0000000             -0.861659E-04
   9343.0000000             -0.314176E-03
   3373.0000000             -0.102577E-02
   1316.0000000             -0.305816E-02
    545.8000000             -0.841063E-02
    238.1000000             -0.211202E-01
    108.2000000             -0.476882E-01
     50.8000000             -0.924119E-01
     24.4800000             -0.142548E+00
     11.9300000             -0.126168E+00
      5.5430000              0.715282E-01
      2.6750000              0.383039E+00
      1.2630000              0.490133E+00
Mg    S
2968000.0000000              0.960175E-07
 444300.0000000              0.746164E-06
 101100.0000000              0.393119E-05
  28640.0000000              0.165812E-04
   9343.0000000              0.606257E-04
   3373.0000000              0.197322E-03
   1316.0000000              0.590881E-03
    545.8000000              0.161904E-02
    238.1000000              0.409756E-02
    108.2000000              0.922989E-02
     50.8000000              0.182168E-01
     24.4800000              0.282884E-01
     11.9300000              0.265059E-01
      5.5430000             -0.172053E-01
      2.6750000             -0.885917E-01
      1.2630000             -0.163871E+00
Mg    S
      0.5883000              1.0000000
Mg    S
      0.1496000              1.0000000
Mg    S
      0.0670000              1.0000000
Mg    S
      0.0295200              1.0000000
Mg    P
     67.7730000              1.0000000
Mg    P
     24.8870000              1.0000000
Mg    P
      9.1390000              1.0000000
Mg    P
      3.3560000              1.0000000
Mg    P
   1441.0000000              0.152407E-03
    341.4000000              0.132764E-02
    110.7000000              0.721937E-02
     41.9700000              0.285205E-01
     17.4900000              0.865346E-01
      7.7530000              0.194950E+00
      3.5340000              0.312051E+00
      1.6140000              0.348476E+00
      0.7299000              0.218886E+00
      0.3029000              0.435579E-01
Mg    P
   1441.0000000             -0.241031E-04
    341.4000000             -0.210809E-03
    110.7000000             -0.114530E-02
     41.9700000             -0.456417E-02
     17.4900000             -0.139603E-01
      7.7530000             -0.321105E-01
      3.5340000             -0.516217E-01
      1.6140000             -0.613713E-01
      0.7299000             -0.442465E-01
      0.3029000              0.523191E-01
Mg    P
      0.1583000              1.0000000
Mg    P
      0.0819000              1.0000000
Mg    P
      0.0412300              1.0000000
Mg    P
      0.0198800              1.0000000
Mg    D
     24.823000               1.0000000
Mg    D
     11.820000               1.0000000
Mg    D
      5.6290000              1.0000000
Mg    D
      2.3030000              1.0000000
Mg    D
      1.1710000              1.0000000
Mg    D
      0.5320000              1.0000000
Mg    D
      0.2420000              1.0000000
Mg    D
      0.1100000              1.0000000
Mg    F
     13.0000000              1.0000000
Mg    F
      5.4710000              1.0000000
Mg    F
      2.3030000              1.0000000
Mg    F
      0.4480000              1.0000000
Mg    F
      0.2640000              1.0000000
Mg    F
      0.1550000              1.0000000
Mg    G
      9.3890000              1.0000000
Mg    G
      3.5300000              1.0000000
Mg    G
      0.4440000              1.0000000
Mg    G
      0.2400000              1.0000000
Mg    H
      6.7210000              1.0000000
Mg    H
      0.3750000              1.0000000
end
basis "Al_cc-pCV5Z" SPHERICAL 
#basis SET: (31s,12p,8d,6f,4g,2h) -> [11s,10p,8d,6f,4g,2h]
Al    S
3269000.0000000              0.0000021
 489400.0000000              0.0000166
 111400.0000000              0.0000875
  31560.0000000              0.0003690
  10320.0000000              0.0013390
   3731.0000000              0.0043564
   1456.0000000              0.0128955
    604.1000000              0.0348201
    263.5000000              0.0843530
    119.8000000              0.1759070
     56.3200000              0.2920910
Al    S
3269000.0000000             -0.0000006
 489400.0000000             -0.0000043
 111400.0000000             -0.0000227
  31560.0000000             -0.0000960
  10320.0000000             -0.0003484
   3731.0000000             -0.0011384
   1456.0000000             -0.0033874
    604.1000000             -0.0093151
    263.5000000             -0.0233023
    119.8000000             -0.0523486
     56.3200000             -0.0999499
Al    S
     27.1900000              1.0000000
Al    S
     13.2600000              1.0000000
Al    S
      6.0520000              1.0000000
Al    S
      2.9810000              1.0000000
Al    S
      1.4760000              1.0000000
Al    S
      0.7334000              1.0000000
Al    S
      0.2447000              1.0000000
Al    S
      0.1088000              1.0000000
Al    S
      0.0467200              1.0000000
Al    P
   1461.0000000              0.0002086
    346.2000000              0.0018101
    112.2000000              0.0097343
Al    P
     42.5100000              1.0000000
Al    P
     17.7200000              1.0000000
Al    P
      7.8520000              1.0000000
Al    P
      3.5710000              1.0000000
Al    P
      1.6370000              1.0000000
Al    P
      0.7382000              1.0000000
Al    P
      0.2577000              1.0000000
Al    P
      0.0977300              1.0000000
Al    P
      0.0369000              1.0000000
Al    D
     30.2400000              1.0000000
Al    D
     14.2490000              1.0000000
Al    D
      6.7142000              1.0000000
Al    D
      3.1630000              1.0000000
Al    D
      1.3170000              1.0000000
Al    D
      0.5260000              1.0000000
Al    D
      0.2100000              1.0000000
Al    D
      0.0840000              1.0000000
Al    F
     15.6410000              1.0000000
Al    F
      6.5270000              1.0000000
Al    F
      2.7240000              1.0000000
Al    F
      0.5130000              1.0000000
Al    F
      0.2580000              1.0000000
Al    F
      0.1300000              1.0000000
Al    G
     11.8300000              1.0000000
Al    G
      4.5020000              1.0000000
Al    G
      0.5430000              1.0000000
Al    G
      0.2520000              1.0000000
Al    H
      8.5080000              1.0000000
Al    H
      0.4460000              1.0000000
end
basis "Si_cc-pCV5Z" SPHERICAL 
#basis SET: (31s,12p,8d,6f,4g,2h) -> [11s,10p,8d,6f,4g,2h]
Si    S
3948000.0000000              0.0000020
 591100.0000000              0.0000158
 134500.0000000              0.0000834
  38120.0000000              0.0003514
  12460.0000000              0.0012766
   4504.0000000              0.0041519
   1758.0000000              0.0123030
    729.1000000              0.0333102
    318.0000000              0.0809845
    144.6000000              0.1702900
     67.9700000              0.2868790
Si    S
3948000.0000000             -0.0000005
 591100.0000000             -0.0000042
 134500.0000000             -0.0000222
  38120.0000000             -0.0000936
  12460.0000000             -0.0003401
   4504.0000000             -0.0011106
   1758.0000000             -0.0033088
    729.1000000             -0.0091160
    318.0000000             -0.0228790
    144.6000000             -0.0517119
     67.9700000             -0.0999091
Si    S
     32.8200000              1.0000000
Si    S
     16.0300000              1.0000000
Si    S
      7.3960000              1.0000000
Si    S
      3.6610000              1.0000000
Si    S
      1.8230000              1.0000000
Si    S
      0.9147000              1.0000000
Si    S
      0.3393000              1.0000000
Si    S
      0.1500000              1.0000000
Si    S
      0.0643800              1.0000000
Si    P
   1780.0000000              0.0002012
    421.8000000              0.0017494
    136.7000000              0.0094814
Si    P
     51.8100000              1.0000000
Si    P
     21.6000000              1.0000000
Si    P
      9.5630000              1.0000000
Si    P
      4.3500000              1.0000000
Si    P
      2.0060000              1.0000000
Si    P
      0.9205000              1.0000000
Si    P
      0.3500000              1.0000000
Si    P
      0.1381000              1.0000000
Si    P
      0.0533800              1.0000000
Si    D
     39.9340000              1.0000000
Si    D
     19.4830000              1.0000000
Si    D
      9.5050000              1.0000000
Si    D
      4.6380000              1.0000000
Si    D
      2.0820000              1.0000000
Si    D
      0.8170000              1.0000000
Si    D
      0.3210000              1.0000000
Si    D
      0.1260000              1.0000000
Si    F
     18.9640000              1.0000000
Si    F
      7.9560000              1.0000000
Si    F
      3.3380000              1.0000000
Si    F
      0.6880000              1.0000000
Si    F
      0.3410000              1.0000000
Si    F
      0.1690000              1.0000000
Si    G
     14.5040000              1.0000000
Si    G
      5.5810000              1.0000000
Si    G
      0.7050000              1.0000000
Si    G
      0.3200000              1.0000000
Si    H
     10.5360000              1.0000000
Si    H
      0.5830000              1.0000000
end
basis "P_cc-pCV5Z" SPHERICAL 
#basis SET: (31s,12p,8d,6f,4g,2h) -> [11s,10p,8d,6f,4g,2h]
P    S
4666000.0000000              0.0000020
 698600.0000000              0.0000153
 159000.0000000              0.0000805
  45040.0000000              0.0003397
  14720.0000000              0.0012329
   5323.0000000              0.0040135
   2076.0000000              0.0119124
    861.1000000              0.0322511
    375.7000000              0.0786643
    170.8000000              0.1664580
     80.2900000              0.2830390
P    S
4666000.0000000             -0.0000005
 698600.0000000             -0.0000042
 159000.0000000             -0.0000218
  45040.0000000             -0.0000923
  14720.0000000             -0.0003351
   5323.0000000             -0.0010951
   2076.0000000             -0.0032680
    861.1000000             -0.0089995
    375.7000000             -0.0226528
    170.8000000             -0.0514650
     80.2900000             -0.1001860
P    S
     38.7700000              1.0000000
P    S
     18.9300000              1.0000000
P    S
      8.7960000              1.0000000
P    S
      4.3580000              1.0000000
P    S
      2.1740000              1.0000000
P    S
      1.0950000              1.0000000
P    S
      0.4400000              1.0000000
P    S
      0.1945000              1.0000000
P    S
      0.0837600              1.0000000
P    P
   2010.0000000              0.0002159
    476.3000000              0.0018754
    154.4000000              0.0101742
P    P
     58.5100000              1.0000000
P    P
     24.4000000              1.0000000
P    P
     10.8000000              1.0000000
P    P
      4.9130000              1.0000000
P    P
      2.2690000              1.0000000
P    P
      1.0430000              1.0000000
P    P
      0.4313000              1.0000000
P    P
      0.1767000              1.0000000
P    P
      0.0700900              1.0000000
P    D
     48.4830000              1.0000000
P    D
     23.8780000              1.0000000
P    D
     11.7600000              1.0000000
P    D
      5.7920000              1.0000000
P    D
      2.6560000              1.0000000
P    D
      1.0540000              1.0000000
P    D
      0.4180000              1.0000000
P    D
      0.1660000              1.0000000
P    F
     22.9200000              1.0000000
P    F
      9.6830000              1.0000000
P    F
      4.0910000              1.0000000
P    F
      0.9230000              1.0000000
P    F
      0.4500000              1.0000000
P    F
      0.2190000              1.0000000
P    G
     17.3220000              1.0000000
P    G
      6.7170000              1.0000000
P    G
      0.9030000              1.0000000
P    G
      0.4120000              1.0000000
P    H
     12.8110000              1.0000000
P    H
      0.7450000              1.0000000
end
basis "S_cc-pCV5Z" SPHERICAL 
#basis SET: (31s,12p,8d,6f,4g,2h) -> [11s,10p,8d,6f,4g,2h]
S    S
5481000.0000000              0.0000019
 820600.0000000              0.0000147
 186700.0000000              0.0000775
  52880.0000000              0.0003272
  17250.0000000              0.0011937
   6226.0000000              0.0038839
   2429.0000000              0.0115336
   1007.0000000              0.0312748
    439.5000000              0.0764387
    199.8000000              0.1627000
     93.9200000              0.2793280
S    S
5481000.0000000             -0.0000005
 820600.0000000             -0.0000041
 186700.0000000             -0.0000214
  52880.0000000             -0.0000905
  17250.0000000             -0.0003301
   6226.0000000             -0.0010778
   2429.0000000             -0.0032187
   1007.0000000             -0.0088722
    439.5000000             -0.0223771
    199.8000000             -0.0510577
     93.9200000             -0.1002250
S    S
     45.3400000              1.0000000
S    S
     22.1500000              1.0000000
S    S
     10.3400000              1.0000000
S    S
      5.1190000              1.0000000
S    S
      2.5530000              1.0000000
S    S
      1.2820000              1.0000000
S    S
      0.5450000              1.0000000
S    S
      0.2411000              1.0000000
S    S
      0.1035000              1.0000000
S    P
   2200.0000000              0.0002390
    521.4000000              0.0020769
    169.0000000              0.0112363
S    P
     64.0500000              1.0000000
S    P
     26.7200000              1.0000000
S    P
     11.8300000              1.0000000
S    P
      5.3780000              1.0000000
S    P
      2.4820000              1.0000000
S    P
      1.1160000              1.0000000
S    P
      0.4848000              1.0000000
S    P
      0.2006000              1.0000000
S    P
      0.0795100              1.0000000
S    D
     56.6940000              1.0000000
S    D
     28.0700000              1.0000000
S    D
     13.8980000              1.0000000
S    D
      6.8810000              1.0000000
S    D
      3.2030000              1.0000000
S    D
      1.2810000              1.0000000
S    D
      0.5120000              1.0000000
S    D
      0.2050000              1.0000000
S    F
     26.3820000              1.0000000
S    F
     11.0720000              1.0000000
S    F
      4.6470000              1.0000000
S    F
      1.0960000              1.0000000
S    F
      0.5290000              1.0000000
S    F
      0.2550000              1.0000000
S    G
     20.3460000              1.0000000
S    G
      7.9080000              1.0000000
S    G
      1.0710000              1.0000000
S    G
      0.4630000              1.0000000
S    H
     15.3060000              1.0000000
S    H
      0.8720000              1.0000000
end
basis "Cl_cc-pCV5Z" SPHERICAL 
#basis SET: (31s,12p,8d,6f,4g,2h) -> [11s,10p,8d,6f,4g,2h]
Cl    S
6410000.0000000              0.0000018
 959600.0000000              0.0000141
 218300.0000000              0.0000742
  61810.0000000              0.0003141
  20140.0000000              0.0011464
   7264.0000000              0.0037389
   2832.0000000              0.0110946
   1175.0000000              0.0301152
    512.6000000              0.0739145
    233.0000000              0.1582580
    109.5000000              0.2747530
Cl    S
6410000.0000000             -0.0000005
 959600.0000000             -0.0000040
 218300.0000000             -0.0000208
  61810.0000000             -0.0000881
  20140.0000000             -0.0003217
   7264.0000000             -0.0010528
   2832.0000000             -0.0031418
   1175.0000000             -0.0086636
    512.6000000             -0.0219353
    233.0000000             -0.0502584
    109.5000000             -0.0995414
Cl    S
     52.8600000              1.0000000
Cl    S
     25.8400000              1.0000000
Cl    S
     12.1700000              1.0000000
Cl    S
      6.0300000              1.0000000
Cl    S
      3.0120000              1.0000000
Cl    S
      1.5110000              1.0000000
Cl    S
      0.6604000              1.0000000
Cl    S
      0.2926000              1.0000000
Cl    S
      0.1254000              1.0000000
Cl    P
   2548.0000000              0.0002357
    603.7000000              0.0020516
    195.6000000              0.0111543
Cl    P
     74.1500000              1.0000000
Cl    P
     30.9400000              1.0000000
Cl    P
     13.6900000              1.0000000
Cl    P
      6.2290000              1.0000000
Cl    P
      2.8780000              1.0000000
Cl    P
      1.2820000              1.0000000
Cl    P
      0.5641000              1.0000000
Cl    P
      0.2348000              1.0000000
Cl    P
      0.0931200              1.0000000
Cl    D
     65.8370000              1.0000000
Cl    D
     32.6870000              1.0000000
Cl    D
     16.2280000              1.0000000
Cl    D
      8.0570000              1.0000000
Cl    D
      3.7810000              1.0000000
Cl    D
      1.5290000              1.0000000
Cl    D
      0.6180000              1.0000000
Cl    D
      0.2500000              1.0000000
Cl    F
     30.6910000              1.0000000
Cl    F
     12.8840000              1.0000000
Cl    F
      5.4090000              1.0000000
Cl    F
      1.3450000              1.0000000
Cl    F
      0.6560000              1.0000000
Cl    F
      0.3200000              1.0000000
Cl    G
     23.4460000              1.0000000
Cl    G
      9.1210000              1.0000000
Cl    G
      1.3020000              1.0000000
Cl    G
      0.5560000              1.0000000
Cl    H
     18.0660000              1.0000000
Cl    H
      1.0530000              1.0000000
end
basis "Ar_cc-pCV5Z" SPHERICAL 
#basis SET: (31s,12p,8d,6f,4g,2h) -> [11s,10p,8d,6f,4g,2h]
Ar    S
7401000.0000000              0.0000018
1108000.0000000              0.0000136
 252100.0000000              0.0000716
  71380.0000000              0.0003030
  23260.0000000              0.0011061
   8390.0000000              0.0036067
   3271.0000000              0.0107132
   1357.0000000              0.0291068
    592.0000000              0.0716601
    269.1000000              0.1541405
    126.5000000              0.2704171
Ar    S
7401000.0000000             -0.0000005
1108000.0000000             -0.0000039
 252100.0000000             -0.0000203
  71380.0000000             -0.0000861
  23260.0000000             -0.0003144
   8390.0000000             -0.0010284
   3271.0000000             -0.0030727
   1357.0000000             -0.0084753
    592.0000000             -0.0215201
    269.1000000             -0.0494493
    126.5000000             -0.0987759
Ar    S
     61.0300000              1.0000000
Ar    S
     29.8600000              1.0000000
Ar    S
     14.1700000              1.0000000
Ar    S
      7.0220000              1.0000000
Ar    S
      3.5110000              1.0000000
Ar    S
      1.7580000              1.0000000
Ar    S
      0.7841000              1.0000000
Ar    S
      0.3480000              1.0000000
Ar    S
      0.1491000              1.0000000
Ar    P
   2927.0000000              0.0002320
    693.5000000              0.0020233
    224.7000000              0.0110340
Ar    P
     85.1700000              1.0000000
Ar    P
     35.5300000              1.0000000
Ar    P
     15.7300000              1.0000000
Ar    P
      7.1650000              1.0000000
Ar    P
      3.3220000              1.0000000
Ar    P
      1.4780000              1.0000000
Ar    P
      0.6552000              1.0000000
Ar    P
      0.2751000              1.0000000
Ar    P
      0.1097000              1.0000000
Ar    D
     76.8080000              1.0000000
Ar    D
     38.7370000              1.0000000
Ar    D
     19.5370000              1.0000000
Ar    D
      9.8530000              1.0000000
Ar    D
      4.7760000              1.0000000
Ar    D
      1.9170000              1.0000000
Ar    D
      0.7700000              1.0000000
Ar    D
      0.3090000              1.0000000
Ar    F
     35.8730000              1.0000000
Ar    F
     15.1400000              1.0000000
Ar    F
      6.3900000              1.0000000
Ar    F
      1.6680000              1.0000000
Ar    F
      0.8250000              1.0000000
Ar    F
      0.4080000              1.0000000
Ar    G
     26.5600000              1.0000000
Ar    G
     10.3060000              1.0000000
Ar    G
      1.5620000              1.0000000
Ar    G
      0.6650000              1.0000000
Ar    H
     21.1040000              1.0000000
Ar    H
      1.2640000              1.0000000
end
basis "Ca_cc-pCV5Z" SPHERICAL 
#basis SET: (60s,28p,8d,3f,2g,1h) -> [12s,10p,5d,3f,2g,1h]
Ca    S
28249600.0000000             0.00000043
4250190.0000000              0.00000329
 975014.0000000              0.00001714
 277446.0000000              0.00007228
  90454.7000000              0.00026522
  32515.9000000              0.00087484
  12610.6000000              0.00264991
   5190.7700000              0.00748447
   2242.3300000              0.01973093
   1011.5300000              0.04779799
    475.5470000              0.10359562
    232.0720000              0.19293018
    116.8740000              0.28626757
     60.3427000              0.29278494
     31.5244000              0.16312798
     16.0308000              0.03221688
      8.4599200              0.00059258
Ca    S
28249600.0000000            -0.00000012
4250190.0000000             -0.00000096
 975014.0000000             -0.00000497
 277446.0000000             -0.00002099
  90454.7000000             -0.00007701
  32515.9000000             -0.00025431
  12610.6000000             -0.00077168
   5190.7700000             -0.00219083
   2242.3300000             -0.00583567
   1011.5300000             -0.01446869
    475.5470000             -0.03280384
    232.0720000             -0.06674435
    116.8740000             -0.11668667
     60.3427000             -0.15919701
     31.5244000             -0.11620650
     16.0308000              0.10547012
      8.4599200              0.42483472
Ca    S
28249600.0000000             0.00000004
4250190.0000000              0.00000033
 975014.0000000              0.00000172
 277446.0000000              0.00000724
  90454.7000000              0.00002656
  32515.9000000              0.00008772
  12610.6000000              0.00026618
   5190.7700000              0.00075622
   2242.3300000              0.00201618
   1011.5300000              0.00501203
    475.5470000              0.01141485
    232.0720000              0.02345426
    116.8740000              0.04173784
     60.3427000              0.05894305
     31.5244000              0.04503419
     16.0308000             -0.04437618
      8.4599200             -0.21875449
Ca    S
      4.5271800              1.0000000
Ca    S
      2.4185900              1.0000000
Ca    S
      1.2512900              1.0000000
Ca    S
      0.6434300              1.0000000
Ca    S
      0.3291800              1.0000000
Ca    S
      0.1423900              1.0000000
Ca    S
      0.0781900              1.0000000
Ca    S
      0.0376300              1.0000000
Ca    S
      0.0182900              1.0000000
Ca    P
 406353.0000000              0.00000023
  13600.7000000              0.00002393
   3235.4700000              0.00021218
   1053.0500000              0.00122733
    403.5690000              0.00545277
    171.4900000              0.01962669
     78.2363000              0.05827993
     37.6065000              0.13955299
     18.7090000              0.25592562
      9.5004100              0.33998132
Ca    P
 406353.0000000             -0.00000007
  13600.7000000             -0.00000779
   3235.4700000             -0.00006908
   1053.0500000             -0.00040059
    403.5690000             -0.00178490
    171.4900000             -0.00648320
     78.2363000             -0.01956244
     37.6065000             -0.04824767
     18.7090000             -0.09128611
      9.5004100             -0.12842086
Ca    P
      4.9055700              1.0000000
Ca    P
      2.5267000              1.0000000
Ca    P
      1.2713900              1.0000000
Ca    P
      0.6260100              1.0000000
Ca    P
      0.3009900              1.0000000
Ca    P
      0.1176900              1.0000000
Ca    P
      0.0511600              1.0000000
Ca    P
      0.0214200              1.0000000
Ca    D
     39.5628000              0.00344600
     11.4373000              0.02136000
      3.9674300              0.07544800
      1.5247800              0.17152800
Ca    D
      0.5904700              1.0000000
Ca    D
      0.2191400              1.0000000
Ca    D
      0.0795700              1.0000000
Ca    D
      0.0283400              1.0000000
Ca    F
      0.7741000              1.0000000
Ca    F
      0.2580000              1.0000000
Ca    F
      0.0860000              1.0000000
Ca    G
      0.3023000              1.0000000
Ca    G
      0.1012000              1.0000000
Ca    H
      0.2534000              1.0000000
end
