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qp2/data/basis/cc-pcvtz

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Documentation in configure
2020-02-04 19:04:36 +01:00
!----------------------------------------------------------------------
! Basis Set Exchange
! Version 2.1.0+44.g1191679.dirty
! https://www.basissetexchange.org
!----------------------------------------------------------------------
! Basis set: cc-pCVTZ
! Description: TZ2P Triple Zeta + Polarization + Tight Core
! Role: orbital
! Version: 0 (Data from the original Basis Set Exchange)
!----------------------------------------------------------------------
$DATA
LITHIUM
S 11
1 5988.0000000 0.0001330
2 898.9000000 0.0010250
3 205.9000000 0.0052720
4 59.2400000 0.0209290
5 19.8700000 0.0663400
6 7.4060000 0.1657750
7 2.9300000 0.3150380
8 1.1890000 0.3935230
9 0.4798000 0.1908700
10 0.0750900 0.0054140
11 0.0283200 -0.0013280
S 11
1 5988.0000000 -0.0000210
2 898.9000000 -0.0001610
3 205.9000000 -0.0008200
4 59.2400000 -0.0033260
5 19.8700000 -0.0105190
6 7.4060000 -0.0280970
7 2.9300000 -0.0559360
8 1.1890000 -0.0992370
9 0.4798000 -0.1121890
10 0.0750900 0.5678890
11 0.0283200 0.5303820
S 1
1 1.9740000 1.0000000
S 1
1 0.6830000 1.0000000
S 1
1 0.0750900 1.0000000
S 1
1 0.0283200 1.0000000
P 5
1 3.2660000 0.0086300
2 0.6511000 0.0475380
3 0.1696000 0.2097720
4 0.0557800 0.5285220
5 0.0205000 0.3827440
P 1
1 7.3200000 1.0000000
P 1
1 1.8750000 1.0000000
P 1
1 0.0557800 1.0000000
P 1
1 0.0205000 1.0000000
D 1
1 4.9120000 1.0000000
D 1
1 0.1874000 1.0000000
D 1
1 0.0801000 1.0000000
F 1
1 0.1829000 1.0000000
BERYLLIUM
S 11
1 6863.0000000 0.0002360
2 1030.0000000 0.0018260
3 234.7000000 0.0094520
4 66.5600000 0.0379570
5 21.6900000 0.1199650
6 7.7340000 0.2821620
7 2.9160000 0.4274040
8 1.1300000 0.2662780
9 0.2577000 0.0181930
10 0.1101000 -0.0072750
11 0.0440900 0.0019030
S 11
1 6863.0000000 -0.0000430
2 1030.0000000 -0.0003330
3 234.7000000 -0.0017360
4 66.5600000 -0.0070120
5 21.6900000 -0.0231260
6 7.7340000 -0.0581380
7 2.9160000 -0.1145560
8 1.1300000 -0.1359080
9 0.2577000 0.2280260
10 0.1101000 0.5774410
11 0.0440900 0.3178730
S 1
1 4.6040000 1.0000000
S 1
1 1.6170000 1.0000000
S 1
1 0.2577000 1.0000000
S 1
1 0.0440900 1.0000000
P 5
1 7.4360000 0.0107360
2 1.5770000 0.0628540
3 0.4352000 0.2481800
4 0.1438000 0.5236990
5 0.0499400 0.3534250
P 1
1 14.4970000 1.0000000
P 1
1 3.7870000 1.0000000
P 1
1 0.1438000 1.0000000
P 1
1 0.0499400 1.0000000
D 1
1 9.1830000 1.0000000
D 1
1 0.3480000 1.0000000
D 1
1 0.1803000 1.0000000
F 1
1 0.3250000 1.0000000
BORON
S 10
1 5473.0000000 0.0005550
2 820.9000000 0.0042910
3 186.8000000 0.0219490
4 52.8300000 0.0844410
5 17.0800000 0.2385570
6 5.9990000 0.4350720
7 2.2080000 0.3419550
8 0.5879000 0.0368560
9 0.2415000 -0.0095450
10 0.0861000 0.0023680
S 10
1 5473.0000000 -0.0001120
2 820.9000000 -0.0008680
3 186.8000000 -0.0044840
4 52.8300000 -0.0176830
5 17.0800000 -0.0536390
6 5.9990000 -0.1190050
7 2.2080000 -0.1658240
8 0.5879000 0.1201070
9 0.2415000 0.5959810
10 0.0861000 0.4110210
S 1
1 8.3110000 1.0000000
S 1
1 2.9400000 1.0000000
S 1
1 0.5879000 1.0000000
S 1
1 0.0861000 1.0000000
P 5
1 12.0500000 0.0131180
2 2.6130000 0.0798960
3 0.7475000 0.2772750
4 0.2385000 0.5042700
5 0.0769800 0.3536800
P 1
1 22.8910000 1.0000000
P 1
1 6.0160000 1.0000000
P 1
1 0.2385000 1.0000000
P 1
1 0.0769800 1.0000000
D 1
1 13.0150000 1.0000000
D 1
1 0.6610000 1.0000000
D 1
1 0.1990000 1.0000000
F 1
1 0.4900000 1.0000000
CARBON
S 10
1 8236.0000000 0.0005310
2 1235.0000000 0.0041080
3 280.8000000 0.0210870
4 79.2700000 0.0818530
5 25.5900000 0.2348170
6 8.9970000 0.4344010
7 3.3190000 0.3461290
8 0.9059000 0.0393780
9 0.3643000 -0.0089830
10 0.1285000 0.0023850
S 10
1 8236.0000000 -0.0001130
2 1235.0000000 -0.0008780
3 280.8000000 -0.0045400
4 79.2700000 -0.0181330
5 25.5900000 -0.0557600
6 8.9970000 -0.1268950
7 3.3190000 -0.1703520
8 0.9059000 0.1403820
9 0.3643000 0.5986840
10 0.1285000 0.3953890
S 1
1 11.8760000 1.0000000
S 1
1 4.2920000 1.0000000
S 1
1 0.9059000 1.0000000
S 1
1 0.1285000 1.0000000
P 5
1 18.7100000 0.0140310
2 4.1330000 0.0868660
3 1.2000000 0.2902160
4 0.3827000 0.5010080
5 0.1209000 0.3434060
P 1
1 33.1900000 1.0000000
P 1
1 8.7780000 1.0000000
P 1
1 0.3827000 1.0000000
P 1
1 0.1209000 1.0000000
D 1
1 14.8390000 1.0000000
D 1
1 1.0970000 1.0000000
D 1
1 0.3180000 1.0000000
F 1
1 0.7610000 1.0000000
NITROGEN
S 10
1 11420.0000000 0.0005230
2 1712.0000000 0.0040450
3 389.3000000 0.0207750
4 110.0000000 0.0807270
5 35.5700000 0.2330740
6 12.5400000 0.4335010
7 4.6440000 0.3474720
8 1.2930000 0.0412620
9 0.5118000 -0.0085080
10 0.1787000 0.0023840
S 10
1 11420.0000000 -0.0001150
2 1712.0000000 -0.0008950
3 389.3000000 -0.0046240
4 110.0000000 -0.0185280
5 35.5700000 -0.0573390
6 12.5400000 -0.1320760
7 4.6440000 -0.1725100
8 1.2930000 0.1518140
9 0.5118000 0.5999440
10 0.1787000 0.3874620
S 1
1 16.2010000 1.0000000
S 1
1 5.9520000 1.0000000
S 1
1 1.2930000 1.0000000
S 1
1 0.1787000 1.0000000
P 5
1 26.6300000 0.0146700
2 5.9480000 0.0917640
3 1.7420000 0.2986830
4 0.5550000 0.4984870
5 0.1725000 0.3370230
P 1
1 44.8490000 1.0000000
P 1
1 11.8710000 1.0000000
P 1
1 0.5550000 1.0000000
P 1
1 0.1725000 1.0000000
D 1
1 14.2000000 1.0000000
D 1
1 1.6540000 1.0000000
D 1
1 0.4690000 1.0000000
F 1
1 1.0930000 1.0000000
OXYGEN
S 10
1 15330.0000000 0.0005080
2 2299.0000000 0.0039290
3 522.4000000 0.0202430
4 147.3000000 0.0791810
5 47.5500000 0.2306870
6 16.7600000 0.4331180
7 6.2070000 0.3502600
8 1.7520000 0.0427280
9 0.6882000 -0.0081540
10 0.2384000 0.0023810
S 10
1 15330.0000000 -0.0001150
2 2299.0000000 -0.0008950
3 522.4000000 -0.0046360
4 147.3000000 -0.0187240
5 47.5500000 -0.0584630
6 16.7600000 -0.1364630
7 6.2070000 -0.1757400
8 1.7520000 0.1609340
9 0.6882000 0.6034180
10 0.2384000 0.3787650
S 1
1 21.0320000 1.0000000
S 1
1 7.8450000 1.0000000
S 1
1 1.7520000 1.0000000
S 1
1 0.2384000 1.0000000
P 5
1 34.4600000 0.0159280
2 7.7490000 0.0997400
3 2.2800000 0.3104920
4 0.7156000 0.4910260
5 0.2140000 0.3363370
P 1
1 57.4370000 1.0000000
P 1
1 15.1590000 1.0000000
P 1
1 0.7156000 1.0000000
P 1
1 0.2140000 1.0000000
D 1
1 15.8580000 1.0000000
D 1
1 2.3140000 1.0000000
D 1
1 0.6450000 1.0000000
F 1
1 1.4280000 1.0000000
FLUORINE
S 10
1 19500.0000000 0.0005070
2 2923.0000000 0.0039230
3 664.5000000 0.0202000
4 187.5000000 0.0790100
5 60.6200000 0.2304390
6 21.4200000 0.4328720
7 7.9500000 0.3499640
8 2.2570000 0.0432330
9 0.8815000 -0.0078920
10 0.3041000 0.0023840
S 10
1 19500.0000000 -0.0001170
2 2923.0000000 -0.0009120
3 664.5000000 -0.0047170
4 187.5000000 -0.0190860
5 60.6200000 -0.0596550
6 21.4200000 -0.1400100
7 7.9500000 -0.1767820
8 2.2570000 0.1716250
9 0.8815000 0.6050430
10 0.3041000 0.3695120
S 1
1 25.9430000 1.0000000
S 1
1 9.8120000 1.0000000
S 1
1 2.2570000 1.0000000
S 1
1 0.3041000 1.0000000
P 5
1 43.8800000 0.0166650
2 9.9260000 0.1044720
3 2.9300000 0.3172600
4 0.9132000 0.4873430
5 0.2672000 0.3346040
P 1
1 71.3480000 1.0000000
P 1
1 18.7560000 1.0000000
P 1
1 0.9132000 1.0000000
P 1
1 0.2672000 1.0000000
D 1
1 19.1080000 1.0000000
D 1
1 3.1070000 1.0000000
D 1
1 0.8550000 1.0000000
F 1
1 1.9170000 1.0000000
NEON
S 10
1 24350.0000000 0.0005020
2 3650.0000000 0.0038810
3 829.6000000 0.0199970
4 234.0000000 0.0784180
5 75.6100000 0.2296760
6 26.7300000 0.4327220
7 9.9270000 0.3506420
8 2.8360000 0.0439110
9 1.1020000 -0.0076450
10 0.3782000 0.0023750
S 10
1 24350.0000000 -0.0001180
2 3650.0000000 -0.0009150
3 829.6000000 -0.0047370
4 234.0000000 -0.0192330
5 75.6100000 -0.0603690
6 26.7300000 -0.1425080
7 9.9270000 -0.1777100
8 2.8360000 0.1773520
9 1.1020000 0.6058360
10 0.3782000 0.3651090
S 1
1 31.9470000 1.0000000
S 1
1 12.0830000 1.0000000
S 1
1 2.8360000 1.0000000
S 1
1 0.3782000 1.0000000
P 5
1 54.7000000 0.0171510
2 12.4300000 0.1076560
3 3.6790000 0.3216810
4 1.1430000 0.4852320
5 0.3300000 0.3325840
P 1
1 87.0170000 1.0000000
P 1
1 22.8270000 1.0000000
P 1
1 1.1430000 1.0000000
P 1
1 0.3300000 1.0000000
D 1
1 23.1680000 1.0000000
D 1
1 4.0140000 1.0000000
D 1
1 1.0960000 1.0000000
F 1
1 2.5440000 1.0000000
SODIUM
S 16
1 423000.0000000 0.180618E-04
2 63340.0000000 0.140430E-03
3 14410.0000000 0.738438E-03
4 4077.0000000 0.311182E-02
5 1328.0000000 0.112081E-01
6 478.6000000 0.352828E-01
7 186.2000000 0.959897E-01
8 76.9200000 0.213735E+00
9 33.3200000 0.348688E+00
10 15.0000000 0.324566E+00
11 6.8690000 0.112633E+00
12 2.6830000 0.706797E-02
13 1.1090000 0.598010E-03
14 0.4540000 0.204130E-03
15 0.0601500 -0.530870E-05
16 0.0238200 0.182605E-05
S 16
1 423000.0000000 -0.440653E-05
2 63340.0000000 -0.343443E-04
3 14410.0000000 -0.180114E-03
4 4077.0000000 -0.763900E-03
5 1328.0000000 -0.275248E-02
6 478.6000000 -0.886016E-02
7 186.2000000 -0.247939E-01
8 76.9200000 -0.605995E-01
9 33.3200000 -0.116446E+00
10 15.0000000 -0.162437E+00
11 6.8690000 -0.438891E-01
12 2.6830000 0.337917E+00
13 1.1090000 0.561347E+00
14 0.4540000 0.245240E+00
15 0.0601500 0.406754E-02
16 0.0238200 -0.126746E-02
S 16
1 423000.0000000 0.663019E-06
2 63340.0000000 0.515769E-05
3 14410.0000000 0.271250E-04
4 4077.0000000 0.114635E-03
5 1328.0000000 0.415118E-03
6 478.6000000 0.132978E-02
7 186.2000000 0.375595E-02
8 76.9200000 0.914025E-02
9 33.3200000 0.179859E-01
10 15.0000000 0.251477E-01
11 6.8690000 0.763522E-02
12 2.6830000 -0.614589E-01
13 1.1090000 -0.115721E+00
14 0.4540000 -0.158906E+00
15 0.0601500 0.626406E+00
16 0.0238200 0.475402E+00
S 1
1 4.1890000 1.0000000
S 1
1 0.6260000 1.0000000
S 1
1 0.4540000 1.0000000
S 1
1 0.0238200 1.0000000
P 10
1 243.3000000 0.224392E-02
2 57.3900000 0.173997E-01
3 18.1000000 0.774125E-01
4 6.5750000 0.219102E+00
5 2.5210000 0.378522E+00
6 0.9607000 0.394902E+00
7 0.3512000 0.160424E+00
8 0.0982700 0.233311E-02
9 0.0373400 0.199536E-02
10 0.0150000 -0.777344E-03
P 10
1 243.3000000 -0.222401E-03
2 57.3900000 -0.174277E-02
3 18.1000000 -0.775456E-02
4 6.5750000 -0.225187E-01
5 2.5210000 -0.384330E-01
6 0.9607000 -0.450177E-01
7 0.3512000 -0.192132E-01
8 0.0982700 0.182697E+00
9 0.0373400 0.557897E+00
10 0.0150000 0.373022E+00
P 1
1 1.5690000 1.0000000
P 1
1 0.5120000 1.0000000
P 1
1 0.0373400 1.0000000
P 1
1 0.0150000 1.0000000
D 1
1 5.4040000 1.0000000
D 1
1 1.5300000 1.0000000
D 1
1 0.1367000 1.0000000
D 1
1 0.0636000 1.0000000
F 1
1 3.4650000 1.0000000
F 1
1 0.1397000 1.0000000
MAGNESIUM
S 15
1 164900.0000000 0.729929E-04
2 24710.0000000 0.566652E-03
3 5628.0000000 0.296269E-02
4 1596.0000000 0.122962E-01
5 521.0000000 0.427324E-01
6 188.0000000 0.123013E+00
7 73.0100000 0.274832E+00
8 29.9000000 0.401818E+00
9 12.5400000 0.264697E+00
10 4.3060000 0.332612E-01
11 1.8260000 -0.441335E-02
12 0.7417000 0.206024E-02
13 0.1457000 -0.838470E-03
14 0.0761200 0.708195E-03
15 0.0331000 -0.200602E-03
S 15
1 164900.0000000 -0.184248E-04
2 24710.0000000 -0.143500E-03
3 5628.0000000 -0.748710E-03
4 1596.0000000 -0.314407E-02
5 521.0000000 -0.110481E-01
6 188.0000000 -0.336058E-01
7 73.0100000 -0.825946E-01
8 29.9000000 -0.159314E+00
9 12.5400000 -0.152888E+00
10 4.3060000 0.190849E+00
11 1.8260000 0.579964E+00
12 0.7417000 0.372029E+00
13 0.1457000 0.211691E-01
14 0.0761200 -0.119344E-01
15 0.0331000 0.277329E-02
S 15
1 164900.0000000 0.355176E-05
2 24710.0000000 0.276420E-04
3 5628.0000000 0.144404E-03
4 1596.0000000 0.605744E-03
5 521.0000000 0.213527E-02
6 188.0000000 0.649934E-02
7 73.0100000 0.161446E-01
8 29.9000000 0.315766E-01
9 12.5400000 0.316374E-01
10 4.3060000 -0.439140E-01
11 1.8260000 -0.151093E+00
12 0.7417000 -0.217668E+00
13 0.1457000 0.259807E+00
14 0.0761200 0.547245E+00
15 0.0331000 0.325910E+00
S 1
1 17.5160000 1.0000000
S 1
1 3.8700000 1.0000000
S 1
1 0.1457000 1.0000000
S 1
1 0.0331000 1.0000000
P 10
1 316.9000000 0.207532E-02
2 74.8600000 0.162869E-01
3 23.7200000 0.738697E-01
4 8.6690000 0.214297E+00
5 3.3630000 0.382154E+00
6 1.3100000 0.398178E+00
7 0.4911000 0.152878E+00
8 0.2364000 -0.437540E-02
9 0.0873300 0.629582E-02
10 0.0323700 -0.156769E-02
P 10
1 316.9000000 -0.329727E-03
2 74.8600000 -0.258754E-02
3 23.7200000 -0.119120E-01
4 8.6690000 -0.350227E-01
5 3.3630000 -0.639968E-01
6 1.3100000 -0.704436E-01
7 0.4911000 -0.375836E-01
8 0.2364000 0.177043E+00
9 0.0873300 0.566707E+00
10 0.0323700 0.396143E+00
P 1
1 20.2970000 1.0000000
P 1
1 5.1050000 1.0000000
P 1
1 0.0873300 1.0000000
P 1
1 0.0323700 1.0000000
D 1
1 7.0290000 1.0000000
D 1
1 2.1210000 1.0000000
D 1
1 0.2940000 1.0000000
D 1
1 0.1260000 1.0000000
F 1
1 4.5300000 1.0000000
F 1
1 0.2520000 1.0000000
ALUMINUM
S 15
1 205500.0000000 0.678836E-04
2 30780.0000000 0.527149E-03
3 7006.0000000 0.276203E-02
4 1985.0000000 0.114728E-01
5 649.1000000 0.398188E-01
6 235.0000000 0.115040E+00
7 91.6200000 0.260887E+00
8 37.6700000 0.396386E+00
9 15.9100000 0.284597E+00
10 5.8500000 0.444583E-01
11 2.5420000 -0.489838E-02
12 1.0570000 0.261253E-02
13 0.2931000 -0.108915E-02
14 0.1455000 0.722068E-03
15 0.0565000 -0.178485E-03
S 15
1 205500.0000000 -0.176377E-04
2 30780.0000000 -0.137195E-03
3 7006.0000000 -0.718910E-03
4 1985.0000000 -0.301146E-02
5 649.1000000 -0.106014E-01
6 235.0000000 -0.321345E-01
7 91.6200000 -0.803156E-01
8 37.6700000 -0.156794E+00
9 15.9100000 -0.168376E+00
10 5.8500000 0.126879E+00
11 2.5420000 0.561494E+00
12 1.0570000 0.436613E+00
13 0.2931000 0.357293E-01
14 0.1455000 -0.114563E-01
15 0.0565000 0.220201E-02
S 15
1 205500.0000000 0.407315E-05
2 30780.0000000 0.316566E-04
3 7006.0000000 0.166116E-03
4 1985.0000000 0.694992E-03
5 649.1000000 0.245511E-02
6 235.0000000 0.744598E-02
7 91.6200000 0.188253E-01
8 37.6700000 0.372772E-01
9 15.9100000 0.419496E-01
10 5.8500000 -0.354375E-01
11 2.5420000 -0.175132E+00
12 1.0570000 -0.276203E+00
13 0.2931000 0.108729E+00
14 0.1455000 0.652809E+00
15 0.0565000 0.394587E+00
S 1
1 7.4880000 1.0000000
S 1
1 1.2720000 1.0000000
S 1
1 0.2931000 1.0000000
S 1
1 0.0565000 1.0000000
P 9
1 444.4000000 0.162786E-02
2 105.1000000 0.130687E-01
3 33.4700000 0.612341E-01
4 12.3300000 0.187870E+00
5 4.8690000 0.360452E+00
6 1.9610000 0.408454E+00
7 0.7834000 0.188640E+00
8 0.1888000 0.976514E-02
9 0.0555700 -0.115057E-02
P 9
1 444.4000000 -0.286341E-03
2 105.1000000 -0.242308E-02
3 33.4700000 -0.108658E-01
4 12.3300000 -0.364307E-01
5 4.8690000 -0.641074E-01
6 1.9610000 -0.972239E-01
7 0.7834000 0.147437E-01
8 0.1888000 0.503448E+00
9 0.0555700 0.597984E+00
P 1
1 5.5480000 1.0000000
P 1
1 2.2020000 1.0000000
P 1
1 0.7834000 1.0000000
P 1
1 0.0555700 1.0000000
D 1
1 8.6460000 1.0000000
D 1
1 2.6340000 1.0000000
D 1
1 0.3330000 1.0000000
D 1
1 0.1090000 1.0000000
F 1
1 5.6860000 1.0000000
F 1
1 0.2440000 1.0000000
SILICON
S 15
1 254900.0000000 0.625101E-04
2 38190.0000000 0.485553E-03
3 8690.0000000 0.254516E-02
4 2462.0000000 0.105866E-01
5 804.8000000 0.368787E-01
6 291.3000000 0.107479E+00
7 113.6000000 0.247936E+00
8 46.7500000 0.390927E+00
9 19.8200000 0.302026E+00
10 7.7080000 0.559236E-01
11 3.3400000 -0.402406E-02
12 1.4020000 0.258030E-02
13 0.4387000 -0.103821E-02
14 0.2070000 0.607930E-03
15 0.0794400 -0.154022E-03
S 15
1 254900.0000000 -0.166370E-04
2 38190.0000000 -0.129310E-03
3 8690.0000000 -0.678828E-03
4 2462.0000000 -0.284117E-02
5 804.8000000 -0.100551E-01
6 291.3000000 -0.305774E-01
7 113.6000000 -0.777256E-01
8 46.7500000 -0.154236E+00
9 19.8200000 -0.180368E+00
10 7.7080000 0.798218E-01
11 3.3400000 0.547441E+00
12 1.4020000 0.480119E+00
13 0.4387000 0.474846E-01
14 0.2070000 -0.106996E-01
15 0.0794400 0.219871E-02
S 15
1 254900.0000000 0.426257E-05
2 38190.0000000 0.331062E-04
3 8690.0000000 0.174015E-03
4 2462.0000000 0.727574E-03
5 804.8000000 0.258333E-02
6 291.3000000 0.786354E-02
7 113.6000000 0.202155E-01
8 46.7500000 0.407320E-01
9 19.8200000 0.499358E-01
10 7.7080000 -0.249396E-01
11 3.3400000 -0.190350E+00
12 1.4020000 -0.318350E+00
13 0.4387000 0.948036E-01
14 0.2070000 0.681180E+00
15 0.0794400 0.395672E+00
S 1
1 9.1640000 1.0000000
S 1
1 1.6210000 1.0000000
S 1
1 0.4387000 1.0000000
S 1
1 0.0794400 1.0000000
P 9
1 481.5000000 0.192045E-02
2 113.9000000 0.153552E-01
3 36.2300000 0.713991E-01
4 13.3400000 0.213052E+00
5 5.2520000 0.390354E+00
6 2.1200000 0.393721E+00
7 0.8561000 0.132565E+00
8 0.2528000 0.395630E-02
9 0.0788900 0.331624E-03
P 9
1 481.5000000 -0.405220E-03
2 113.9000000 -0.335896E-02
3 36.2300000 -0.152860E-01
4 13.3400000 -0.489218E-01
5 5.2520000 -0.855008E-01
6 2.1200000 -0.112137E+00
7 0.8561000 0.618274E-01
8 0.2528000 0.551919E+00
9 0.0788900 0.523492E+00
P 1
1 6.4580000 1.0000000
P 1
1 2.5170000 1.0000000
P 1
1 0.8561000 1.0000000
P 1
1 0.0788900 1.0000000
D 1
1 10.6710000 1.0000000
D 1
1 3.3080000 1.0000000
D 1
1 0.4810000 1.0000000
D 1
1 0.1590000 1.0000000
F 1
1 7.0010000 1.0000000
F 1
1 0.3360000 1.0000000
PHOSPHORUS
S 15
1 312400.0000000 0.576960E-04
2 46800.0000000 0.448296E-03
3 10650.0000000 0.234939E-02
4 3018.0000000 0.978265E-02
5 986.8000000 0.341467E-01
6 357.4000000 0.100204E+00
7 139.6000000 0.234372E+00
8 57.6300000 0.382434E+00
9 24.6000000 0.318088E+00
10 10.1200000 0.707788E-01
11 4.2830000 -0.181799E-02
12 1.8050000 0.216180E-02
13 0.6158000 -0.834742E-03
14 0.2782000 0.432297E-03
15 0.1055000 -0.114251E-03
S 15
1 312400.0000000 -0.156709E-04
2 46800.0000000 -0.121724E-03
3 10650.0000000 -0.639672E-03
4 3018.0000000 -0.267426E-02
5 986.8000000 -0.949831E-02
6 357.4000000 -0.289349E-01
7 139.6000000 -0.745121E-01
8 57.6300000 -0.149938E+00
9 24.6000000 -0.189467E+00
10 10.1200000 0.363270E-01
11 4.2830000 0.528816E+00
12 1.8050000 0.519115E+00
13 0.6158000 0.605547E-01
14 0.2782000 -0.925695E-02
15 0.1055000 0.210372E-02
S 15
1 312400.0000000 0.430631E-05
2 46800.0000000 0.334194E-04
3 10650.0000000 0.175885E-03
4 3018.0000000 0.734340E-03
5 986.8000000 0.261775E-02
6 357.4000000 0.797852E-02
7 139.6000000 0.207940E-01
8 57.6300000 0.424446E-01
9 24.6000000 0.563436E-01
10 10.1200000 -0.127358E-01
11 4.2830000 -0.196495E+00
12 1.8050000 -0.353555E+00
13 0.6158000 0.741407E-01
14 0.2782000 0.700912E+00
15 0.1055000 0.404739E+00
S 1
1 10.9780000 1.0000000
S 1
1 2.0060000 1.0000000
S 1
1 0.6158000 1.0000000
S 1
1 0.1055000 1.0000000
P 9
1 504.9000000 0.233728E-02
2 119.4000000 0.185410E-01
3 37.9600000 0.849693E-01
4 13.9500000 0.244615E+00
5 5.4570000 0.422766E+00
6 2.1770000 0.368439E+00
7 0.8010000 0.772734E-01
8 0.2877000 -0.379005E-02
9 0.0971400 0.159939E-02
P 9
1 504.9000000 -0.555236E-03
2 119.4000000 -0.445913E-02
3 37.9600000 -0.206350E-01
4 13.9500000 -0.617694E-01
5 5.4570000 -0.108924E+00
6 2.1770000 -0.105599E+00
7 0.8010000 0.153483E+00
8 0.2877000 0.576981E+00
9 0.0971400 0.422439E+00
P 1
1 7.0840000 1.0000000
P 1
1 2.7010000 1.0000000
P 1
1 0.8010000 1.0000000
P 1
1 0.0971400 1.0000000
D 1
1 12.8910000 1.0000000
D 1
1 4.0560000 1.0000000
D 1
1 0.6520000 1.0000000
D 1
1 0.2160000 1.0000000
F 1
1 8.4620000 1.0000000
F 1
1 0.4520000 1.0000000
SULFUR
S 15
1 374100.0000000 0.542140E-04
2 56050.0000000 0.420855E-03
3 12760.0000000 0.220698E-02
4 3615.0000000 0.919258E-02
5 1183.0000000 0.321123E-01
6 428.8000000 0.946683E-01
7 167.8000000 0.223630E+00
8 69.4700000 0.374393E+00
9 29.8400000 0.329108E+00
10 12.7200000 0.847038E-01
11 5.2440000 0.440851E-03
12 2.2190000 0.164827E-02
13 0.7767000 -0.622332E-03
14 0.3490000 0.301306E-03
15 0.1322000 -0.841290E-04
S 15
1 374100.0000000 -0.149837E-04
2 56050.0000000 -0.116198E-03
3 12760.0000000 -0.611583E-03
4 3615.0000000 -0.255370E-02
5 1183.0000000 -0.908708E-02
6 428.8000000 -0.277045E-01
7 167.8000000 -0.720020E-01
8 69.4700000 -0.146439E+00
9 29.8400000 -0.195150E+00
10 12.7200000 0.819193E-02
11 5.2440000 0.516601E+00
12 2.2190000 0.542178E+00
13 0.7767000 0.688430E-01
14 0.3490000 -0.918072E-02
15 0.1322000 0.226832E-02
S 15
1 374100.0000000 0.435066E-05
2 56050.0000000 0.337140E-04
3 12760.0000000 0.177674E-03
4 3615.0000000 0.741116E-03
5 1183.0000000 0.264591E-02
6 428.8000000 0.807487E-02
7 167.8000000 0.212276E-01
8 69.4700000 0.438323E-01
9 29.8400000 0.612716E-01
10 12.7200000 -0.361510E-02
11 5.2440000 -0.204510E+00
12 2.2190000 -0.381871E+00
13 0.7767000 0.826844E-01
14 0.3490000 0.714147E+00
15 0.1322000 0.393791E+00
S 1
1 12.9280000 1.0000000
S 1
1 2.4130000 1.0000000
S 1
1 0.7767000 1.0000000
S 1
1 0.1322000 1.0000000
P 9
1 574.4000000 0.242264E-02
2 135.8000000 0.192796E-01
3 43.1900000 0.885401E-01
4 15.8700000 0.254654E+00
5 6.2080000 0.433984E+00
6 2.4830000 0.354953E+00
7 0.8688000 0.618941E-01
8 0.3229000 -0.502977E-02
9 0.1098000 0.209813E-02
P 9
1 574.4000000 -0.620102E-03
2 135.8000000 -0.493882E-02
3 43.1900000 -0.232647E-01
4 15.8700000 -0.685195E-01
5 6.2080000 -0.123896E+00
6 2.4830000 -0.969499E-01
7 0.8688000 0.228215E+00
8 0.3229000 0.569394E+00
9 0.1098000 0.366302E+00
P 1
1 8.1140000 1.0000000
P 1
1 3.1060000 1.0000000
P 1
1 0.8688000 1.0000000
P 1
1 0.1098000 1.0000000
D 1
1 15.2540000 1.0000000
D 1
1 4.8450000 1.0000000
D 1
1 0.8190000 1.0000000
D 1
1 0.2690000 1.0000000
F 1
1 10.0520000 1.0000000
F 1
1 0.5570000 1.0000000
CHLORINE
S 15
1 456100.0000000 0.492970E-04
2 68330.0000000 0.383029E-03
3 15550.0000000 0.200854E-02
4 4405.0000000 0.838558E-02
5 1439.0000000 0.294703E-01
6 520.4000000 0.878325E-01
7 203.1000000 0.211473E+00
8 83.9600000 0.365364E+00
9 36.2000000 0.340884E+00
10 15.8300000 0.102133E+00
11 6.3340000 0.311675E-02
12 2.6940000 0.105751E-02
13 0.9768000 -0.378000E-03
14 0.4313000 0.156136E-03
15 0.1625000 -0.514126E-04
S 15
1 456100.0000000 -0.138304E-04
2 68330.0000000 -0.107279E-03
3 15550.0000000 -0.565083E-03
4 4405.0000000 -0.236135E-02
5 1439.0000000 -0.845886E-02
6 520.4000000 -0.259638E-01
7 203.1000000 -0.686362E-01
8 83.9600000 -0.141874E+00
9 36.2000000 -0.199319E+00
10 15.8300000 -0.195662E-01
11 6.3340000 0.499741E+00
12 2.6940000 0.563736E+00
13 0.9768000 0.790325E-01
14 0.4313000 -0.835091E-02
15 0.1625000 0.232456E-02
S 15
1 456100.0000000 0.418546E-05
2 68330.0000000 0.324395E-04
3 15550.0000000 0.171105E-03
4 4405.0000000 0.714176E-03
5 1439.0000000 0.256705E-02
6 520.4000000 0.788552E-02
7 203.1000000 0.210867E-01
8 83.9600000 0.442264E-01
9 36.2000000 0.651670E-01
10 15.8300000 0.603012E-02
11 6.3340000 -0.206495E+00
12 2.6940000 -0.405871E+00
13 0.9768000 0.759558E-01
14 0.4313000 0.725661E+00
15 0.1625000 0.394423E+00
S 1
1 15.0640000 1.0000000
S 1
1 2.8740000 1.0000000
S 1
1 0.9768000 1.0000000
S 1
1 0.1625000 1.0000000
P 9
1 663.3000000 0.240448E-02
2 156.8000000 0.192148E-01
3 49.9800000 0.885097E-01
4 18.4200000 0.256020E+00
5 7.2400000 0.436927E+00
6 2.9220000 0.350334E+00
7 1.0220000 0.585495E-01
8 0.3818000 -0.458423E-02
9 0.1301000 0.226970E-02
P 9
1 663.3000000 -0.652145E-03
2 156.8000000 -0.519445E-02
3 49.9800000 -0.246938E-01
4 18.4200000 -0.728167E-01
5 7.2400000 -0.134030E+00
6 2.9220000 -0.947742E-01
7 1.0220000 0.262289E+00
8 0.3818000 0.564667E+00
9 0.1301000 0.341250E+00
P 1
1 9.4800000 1.0000000
P 1
1 3.6680000 1.0000000
P 1
1 1.0220000 1.0000000
P 1
1 0.1301000 1.0000000
D 1
1 17.9570000 1.0000000
D 1
1 5.7600000 1.0000000
D 1
1 1.0460000 1.0000000
D 1
1 0.3440000 1.0000000
F 1
1 11.7790000 1.0000000
F 1
1 0.7060000 1.0000000
ARGON
S 15
1 545000.0000000 0.455828E-04
2 81640.0000000 0.354108E-03
3 18580.0000000 0.185797E-02
4 5261.0000000 0.776851E-02
5 1717.0000000 0.274232E-01
6 619.9000000 0.823836E-01
7 241.6000000 0.201230E+00
8 99.7900000 0.356781E+00
9 43.1500000 0.349563E+00
10 19.1400000 0.118266E+00
11 7.4880000 0.560190E-02
12 3.2050000 0.483473E-03
13 1.1960000 -0.148085E-03
14 0.5204000 0.292025E-04
15 0.1954000 -0.231604E-04
S 15
1 545000.0000000 -0.129551E-04
2 81640.0000000 -0.100428E-03
3 18580.0000000 -0.529583E-03
4 5261.0000000 -0.221396E-02
5 1717.0000000 -0.796845E-02
6 619.9000000 -0.245803E-01
7 241.6000000 -0.657798E-01
8 99.7900000 -0.137942E+00
9 43.1500000 -0.201630E+00
10 19.1400000 -0.412834E-01
11 7.4880000 0.484680E+00
12 3.2050000 0.579224E+00
13 1.1960000 0.879083E-01
14 0.5204000 -0.727553E-02
15 0.1954000 0.232884E-02
S 15
1 545000.0000000 0.404990E-05
2 81640.0000000 0.313691E-04
3 18580.0000000 0.165646E-03
4 5261.0000000 0.691662E-03
5 1717.0000000 0.249790E-02
6 619.9000000 0.771074E-02
7 241.6000000 0.208714E-01
8 99.7900000 0.443965E-01
9 43.1500000 0.680224E-01
10 19.1400000 0.141350E-01
11 7.4880000 -0.207489E+00
12 3.2050000 -0.425045E+00
13 1.1960000 0.704855E-01
14 0.5204000 0.733627E+00
15 0.1954000 0.396005E+00
S 1
1 17.3620000 1.0000000
S 1
1 3.3780000 1.0000000
S 1
1 1.1960000 1.0000000
S 1
1 0.1954000 1.0000000
P 9
1 761.8000000 0.236976E-02
2 180.2000000 0.190199E-01
3 57.5000000 0.880807E-01
4 21.2400000 0.256377E+00
5 8.3880000 0.438711E+00
6 3.4160000 0.347569E+00
7 1.2060000 0.566740E-01
8 0.4523000 -0.523882E-02
9 0.1545000 0.164376E-02
P 9
1 761.8000000 -0.667211E-03
2 180.2000000 -0.532717E-02
3 57.5000000 -0.255494E-01
4 21.2400000 -0.757197E-01
5 8.3880000 -0.141133E+00
6 3.4160000 -0.932768E-01
7 1.2060000 0.282872E+00
8 0.4523000 0.562450E+00
9 0.1545000 0.325059E+00
P 1
1 11.0190000 1.0000000
P 1
1 4.3070000 1.0000000
P 1
1 1.2060000 1.0000000
P 1
1 0.1545000 1.0000000
D 1
1 20.7060000 1.0000000
D 1
1 6.6810000 1.0000000
D 1
1 1.2540000 1.0000000
D 1
1 0.4100000 1.0000000
F 1
1 13.6740000 1.0000000
F 1
1 0.8900000 1.0000000
CALCIUM
S 20
1 2402654.0000000 0.00000931
2 359789.8000000 0.00007239
3 81878.0900000 0.00038059
4 23190.8900000 0.00160453
5 7565.2120000 0.00580780
6 2730.7020000 0.01859566
7 1064.6400000 0.05287776
8 441.0605000 0.13015149
9 191.7269000 0.25931471
10 86.5377400 0.36149610
11 39.8992400 0.26411160
12 17.6406500 0.05709398
13 8.3599900 -0.00182200
14 3.9513300 0.00211164
15 1.7134000 -0.00097709
16 0.8108600 0.00045581
17 0.3602500 -0.00019146
18 0.0810800 0.00009171
19 0.0448400 -0.00007874
20 0.0214300 0.00002232
S 20
1 2402654.0000000 -0.00000270
2 359789.8000000 -0.00002102
3 81878.0900000 -0.00011052
4 23190.8900000 -0.00046666
5 7565.2120000 -0.00169513
6 2730.7020000 -0.00548346
7 1064.6400000 -0.01596597
8 441.0605000 -0.04151384
9 191.7269000 -0.09286387
10 86.5377400 -0.16531657
11 39.8992400 -0.17664074
12 17.6406500 0.06444422
13 8.3599900 0.51087962
14 3.9513300 0.49463804
15 1.7134000 0.08750094
16 0.8108600 -0.00359101
17 0.3602500 0.00249220
18 0.0810800 -0.00075825
19 0.0448400 0.00064587
20 0.0214300 -0.00018174
S 20
1 2402654.0000000 0.00000093
2 359789.8000000 0.00000725
3 81878.0900000 0.00003811
4 23190.8900000 0.00016101
5 7565.2120000 0.00058466
6 2730.7020000 0.00189504
7 1064.6400000 0.00552525
8 441.0605000 0.01447010
9 191.7269000 0.03271581
10 86.5377400 0.06003190
11 39.8992400 0.06701683
12 17.6406500 -0.02593660
13 8.3599900 -0.26747467
14 3.9513300 -0.42697256
15 1.7134000 0.06796405
16 0.8108600 0.71020539
17 0.3602500 0.44180057
18 0.0810800 0.02193139
19 0.0448400 -0.01186924
20 0.0214300 0.00265272
S 20
1 2402654.0000000 -0.00000022
2 359789.8000000 -0.00000173
3 81878.0900000 -0.00000910
4 23190.8900000 -0.00003844
5 7565.2120000 -0.00013965
6 2730.7020000 -0.00045251
7 1064.6400000 -0.00132038
8 441.0605000 -0.00345841
9 191.7269000 -0.00783686
10 86.5377400 -0.01441517
11 39.8992400 -0.01621648
12 17.6406500 0.00634420
13 8.3599900 0.06740626
14 3.9513300 0.11447396
15 1.7134000 -0.02634477
16 0.8108600 -0.23369885
17 0.3602500 -0.31607538
18 0.0810800 0.33281936
19 0.0448400 0.56111035
20 0.0214300 0.28081781
S 1
1 2.0630000 1.0000000
S 1
1 0.4098000 1.0000000
S 1
1 0.0810800 1.0000000
S 1
1 0.0214300 1.0000000
P 14
1 4061.2890000 0.00019799
2 962.2465000 0.00173208
3 312.1686000 0.00953379
4 118.7144000 0.03839012
5 49.8067000 0.11675881
6 22.2599800 0.25626874
7 10.2876400 0.37978080
8 4.8611540 0.30829326
9 2.2487730 0.08592090
10 1.0336620 0.00212067
11 0.4641320 0.00128880
12 0.1987500 -0.00046835
13 0.0673900 0.00014728
14 0.0254200 -0.00005288
P 14
1 4061.2890000 -0.00006455
2 962.2465000 -0.00056458
3 312.1686000 -0.00313125
4 118.7144000 -0.01274086
5 49.8067000 -0.03991403
6 22.2599800 -0.09050448
7 10.2876400 -0.14261898
8 4.8611540 -0.10980904
9 2.2487730 0.15162490
10 1.0336620 0.46176411
11 0.4641320 0.43260031
12 0.1987500 0.11127411
13 0.0673900 0.00252874
14 0.0254200 0.00071032
P 14
1 4061.2890000 0.00001336
2 962.2465000 0.00011852
3 312.1686000 0.00064872
4 118.7144000 0.00267993
5 49.8067000 0.00828513
6 22.2599800 0.01921235
7 10.2876400 0.02954984
8 4.8611540 0.02431232
9 2.2487730 -0.04111230
10 1.0336620 -0.10419758
11 0.4641320 -0.15036537
12 0.1987500 0.02431729
13 0.0673900 0.59861164
14 0.0254200 0.48135571
P 1
1 2.8806000 1.0000000
P 1
1 0.5347000 1.0000000
P 1
1 0.1987500 1.00000000
P 1
1 0.0254200 1.0000000
D 6
1 16.9462300 0.01547300
2 4.4721200 0.07887400
3 1.4380900 0.20878000
4 0.4669900 0.33021300
5 0.1415100 0.43756200
6 0.0416400 0.37479000
D 1
1 2.2775000 1.0000000
D 1
1 1.1270000 1.0000000
D 1
1 0.1415100 1.00000000
D 1
1 0.0416400 1.00000000
F 1
1 1.3909000 1.0000000
F 1
1 0.1509000 1.00000000
$END
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