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QuantumPackage/data/basis/cc-pcvdz

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46 KiB
Plaintext

!----------------------------------------------------------------------
! Basis Set Exchange
! Version 2.1.0+44.g1191679.dirty
! https://www.basissetexchange.org
!----------------------------------------------------------------------
! Basis set: cc-pCVDZ
! Description: DZP Double Zeta + Polarization + Tight Core
! Role: orbital
! Version: 0 (Data from the original Basis Set Exchange)
!----------------------------------------------------------------------
$DATA
LITHIUM
S 9
1 1469.0000000 0.0007660
2 220.5000000 0.0058920
3 50.2600000 0.0296710
4 14.2400000 0.1091800
5 4.5810000 0.2827890
6 1.5800000 0.4531230
7 0.5640000 0.2747740
8 0.0734500 0.0097510
9 0.0280500 -0.0031800
S 9
1 1469.0000000 -0.0001200
2 220.5000000 -0.0009230
3 50.2600000 -0.0046890
4 14.2400000 -0.0176820
5 4.5810000 -0.0489020
6 1.5800000 -0.0960090
7 0.5640000 -0.1363800
8 0.0734500 0.5751020
9 0.0280500 0.5176610
S 1
1 0.9060000 1.0000000
S 1
1 0.0280500 1.0000000
P 4
1 1.5340000 0.0227840
2 0.2749000 0.1391070
3 0.0736200 0.5003750
4 0.0240300 0.5084740
P 1
1 3.2420000 1.0000000
P 1
1 0.0240300 1.0000000
D 1
1 0.1239000 1.0000000
BERYLLIUM
S 9
1 2940.0000000 0.0006800
2 441.2000000 0.0052360
3 100.5000000 0.0266060
4 28.4300000 0.0999930
5 9.1690000 0.2697020
6 3.1960000 0.4514690
7 1.1590000 0.2950740
8 0.1811000 0.0125870
9 0.0589000 -0.0037560
S 9
1 2940.0000000 -0.0001230
2 441.2000000 -0.0009660
3 100.5000000 -0.0048310
4 28.4300000 -0.0193140
5 9.1690000 -0.0532800
6 3.1960000 -0.1207230
7 1.1590000 -0.1334350
8 0.1811000 0.5307670
9 0.0589000 0.5801170
S 1
1 1.8600000 1.0000000
S 1
1 0.0589000 1.0000000
P 4
1 3.6190000 0.0291110
2 0.7110000 0.1693650
3 0.1951000 0.5134580
4 0.0601800 0.4793380
P 1
1 6.1630000 1.0000000
P 1
1 0.0601800 1.0000000
D 1
1 0.2380000 1.0000000
BORON
S 9
1 4570.0000000 0.0006960
2 685.9000000 0.0053530
3 156.5000000 0.0271340
4 44.4700000 0.1013800
5 14.4800000 0.2720550
6 5.1310000 0.4484030
7 1.8980000 0.2901230
8 0.3329000 0.0143220
9 0.1043000 -0.0034860
S 9
1 4570.0000000 -0.0001390
2 685.9000000 -0.0010970
3 156.5000000 -0.0054440
4 44.4700000 -0.0219160
5 14.4800000 -0.0597510
6 5.1310000 -0.1387320
7 1.8980000 -0.1314820
8 0.3329000 0.5395260
9 0.1043000 0.5807740
S 1
1 3.0660000 1.0000000
S 1
1 0.1043000 1.0000000
P 4
1 6.0010000 0.0354810
2 1.2410000 0.1980720
3 0.3364000 0.5052300
4 0.0953800 0.4794990
P 1
1 9.9400000 1.0000000
P 1
1 0.0953800 1.0000000
D 1
1 0.3430000 1.0000000
CARBON
S 9
1 6665.0000000 0.0006920
2 1000.0000000 0.0053290
3 228.0000000 0.0270770
4 64.7100000 0.1017180
5 21.0600000 0.2747400
6 7.4950000 0.4485640
7 2.7970000 0.2850740
8 0.5215000 0.0152040
9 0.1596000 -0.0031910
S 9
1 6665.0000000 -0.0001460
2 1000.0000000 -0.0011540
3 228.0000000 -0.0057250
4 64.7100000 -0.0233120
5 21.0600000 -0.0639550
6 7.4950000 -0.1499810
7 2.7970000 -0.1272620
8 0.5215000 0.5445290
9 0.1596000 0.5804960
S 1
1 4.5300000 1.0000000
S 1
1 0.1596000 1.0000000
P 4
1 9.4390000 0.0381090
2 2.0020000 0.2094800
3 0.5456000 0.5085570
4 0.1517000 0.4688420
P 1
1 14.5570000 1.0000000
P 1
1 0.1517000 1.0000000
D 1
1 0.5500000 1.0000000
NITROGEN
S 9
1 9046.0000000 0.0007000
2 1357.0000000 0.0053890
3 309.3000000 0.0274060
4 87.7300000 0.1032070
5 28.5600000 0.2787230
6 10.2100000 0.4485400
7 3.8380000 0.2782380
8 0.7466000 0.0154400
9 0.2248000 -0.0028640
S 9
1 9046.0000000 -0.0001530
2 1357.0000000 -0.0012080
3 309.3000000 -0.0059920
4 87.7300000 -0.0245440
5 28.5600000 -0.0674590
6 10.2100000 -0.1580780
7 3.8380000 -0.1218310
8 0.7466000 0.5490030
9 0.2248000 0.5788150
S 1
1 6.2330000 1.0000000
S 1
1 0.2248000 1.0000000
P 4
1 13.5500000 0.0399190
2 2.9170000 0.2171690
3 0.7973000 0.5103190
4 0.2185000 0.4622140
P 1
1 19.9770000 1.0000000
P 1
1 0.2185000 1.0000000
D 1
1 0.8170000 1.0000000
OXYGEN
S 9
1 11720.0000000 0.0007100
2 1759.0000000 0.0054700
3 400.8000000 0.0278370
4 113.7000000 0.1048000
5 37.0300000 0.2830620
6 13.2700000 0.4487190
7 5.0250000 0.2709520
8 1.0130000 0.0154580
9 0.3023000 -0.0025850
S 9
1 11720.0000000 -0.0001600
2 1759.0000000 -0.0012630
3 400.8000000 -0.0062670
4 113.7000000 -0.0257160
5 37.0300000 -0.0709240
6 13.2700000 -0.1654110
7 5.0250000 -0.1169550
8 1.0130000 0.5573680
9 0.3023000 0.5727590
S 1
1 8.2150000 1.0000000
S 1
1 0.3023000 1.0000000
P 4
1 17.7000000 0.0430180
2 3.8540000 0.2289130
3 1.0460000 0.5087280
4 0.2753000 0.4605310
P 1
1 26.0560000 1.0000000
P 1
1 0.2753000 1.0000000
D 1
1 1.1850000 1.0000000
FLUORINE
S 9
1 14710.0000000 0.0007210
2 2207.0000000 0.0055530
3 502.8000000 0.0282670
4 142.6000000 0.1064440
5 46.4700000 0.2868140
6 16.7000000 0.4486410
7 6.3560000 0.2647610
8 1.3160000 0.0153330
9 0.3897000 -0.0023320
S 9
1 14710.0000000 -0.0001650
2 2207.0000000 -0.0013080
3 502.8000000 -0.0064950
4 142.6000000 -0.0266910
5 46.4700000 -0.0736900
6 16.7000000 -0.1707760
7 6.3560000 -0.1123270
8 1.3160000 0.5628140
9 0.3897000 0.5687780
S 1
1 10.4260000 1.0000000
S 1
1 0.3897000 1.0000000
P 4
1 22.6700000 0.0448780
2 4.9770000 0.2357180
3 1.3470000 0.5085210
4 0.3471000 0.4581200
P 1
1 32.8300000 1.0000000
P 1
1 0.3471000 1.0000000
D 1
1 1.6400000 1.0000000
NEON
S 9
1 17880.0000000 0.0007380
2 2683.0000000 0.0056770
3 611.5000000 0.0288830
4 173.5000000 0.1085400
5 56.6400000 0.2909070
6 20.4200000 0.4483240
7 7.8100000 0.2580260
8 1.6530000 0.0150630
9 0.4869000 -0.0021000
S 9
1 17880.0000000 -0.0001720
2 2683.0000000 -0.0013570
3 611.5000000 -0.0067370
4 173.5000000 -0.0276630
5 56.6400000 -0.0762080
6 20.4200000 -0.1752270
7 7.8100000 -0.1070380
8 1.6530000 0.5670500
9 0.4869000 0.5652160
S 1
1 12.8540000 1.0000000
S 1
1 0.4869000 1.0000000
P 4
1 28.3900000 0.0460870
2 6.2700000 0.2401810
3 1.6950000 0.5087440
4 0.4317000 0.4556600
P 1
1 40.1840000 1.0000000
P 1
1 0.4317000 1.0000000
D 1
1 2.2020000 1.0000000
SODIUM
S 12
1 31700.0000000 0.458878E-03
2 4755.0000000 0.355070E-02
3 1082.0000000 0.182618E-01
4 306.4000000 0.716650E-01
5 99.5300000 0.212346E+00
6 35.4200000 0.416203E+00
7 13.3000000 0.373020E+00
8 4.3920000 0.625054E-01
9 1.6760000 -0.624532E-02
10 0.5889000 0.243374E-02
11 0.0564000 -0.442381E-03
12 0.0230700 0.241924E-03
S 12
1 31700.0000000 -0.112162E-03
2 4755.0000000 -0.868512E-03
3 1082.0000000 -0.451330E-02
4 306.4000000 -0.181436E-01
5 99.5300000 -0.580799E-01
6 35.4200000 -0.137653E+00
7 13.3000000 -0.193908E+00
8 4.3920000 0.858009E-01
9 1.6760000 0.604419E+00
10 0.5889000 0.441719E+00
11 0.0564000 0.130547E-01
12 0.0230700 -0.568085E-02
S 12
1 31700.0000000 0.170160E-04
2 4755.0000000 0.130693E-03
3 1082.0000000 0.687784E-03
4 306.4000000 0.272359E-02
5 99.5300000 0.895529E-02
6 35.4200000 0.207832E-01
7 13.3000000 0.319380E-01
8 4.3920000 -0.191368E-01
9 1.6760000 -0.102595E+00
10 0.5889000 -0.198945E+00
11 0.0564000 0.655952E+00
12 0.0230700 0.431153E+00
S 1
1 0.7040000 1.0000000
S 1
1 0.0230700 1.0000000
P 8
1 138.1000000 0.579641E-02
2 32.2400000 0.415756E-01
3 9.9850000 0.162873E+00
4 3.4840000 0.359401E+00
5 1.2310000 0.449988E+00
6 0.4177000 0.227507E+00
7 0.0651300 0.808247E-02
8 0.0205300 -0.196293E-02
P 8
1 138.1000000 -0.581531E-03
2 32.2400000 -0.407306E-02
3 9.9850000 -0.167937E-01
4 3.4840000 -0.353268E-01
5 1.2310000 -0.521971E-01
6 0.4177000 -0.168359E-01
7 0.0651300 0.434613E+00
8 0.0205300 0.658218E+00
P 1
1 0.7610000 1.0000000
P 1
1 0.0205300 1.0000000
D 1
1 2.9490000 1.0000000
D 1
1 0.0973000 1.0000000
MAGNESIUM
S 12
1 47390.0000000 0.346023E-03
2 7108.0000000 0.268077E-02
3 1618.0000000 0.138367E-01
4 458.4000000 0.551767E-01
5 149.3000000 0.169660E+00
6 53.5900000 0.364703E+00
7 20.7000000 0.406856E+00
8 8.3840000 0.135089E+00
9 2.5420000 0.490884E-02
10 0.8787000 0.286460E-03
11 0.1077000 0.264590E-04
12 0.0399900 -0.112708E-04
S 12
1 47390.0000000 -0.877839E-04
2 7108.0000000 -0.674725E-03
3 1618.0000000 -0.355603E-02
4 458.4000000 -0.142154E-01
5 149.3000000 -0.476748E-01
6 53.5900000 -0.114892E+00
7 20.7000000 -0.200676E+00
8 8.3840000 -0.341224E-01
9 2.5420000 0.570454E+00
10 0.8787000 0.542309E+00
11 0.1077000 0.218128E-01
12 0.0399900 -0.827700E-02
S 12
1 47390.0000000 0.169628E-04
2 7108.0000000 0.129865E-03
3 1618.0000000 0.688831E-03
4 458.4000000 0.273533E-02
5 149.3000000 0.931224E-02
6 53.5900000 0.223265E-01
7 20.7000000 0.411195E-01
8 8.3840000 0.545642E-02
9 2.5420000 -0.134012E+00
10 0.8787000 -0.256176E+00
11 0.1077000 0.605856E+00
12 0.0399900 0.509446E+00
S 1
1 3.4220000 1.0000000
S 1
1 0.0399900 1.0000000
P 8
1 179.9000000 0.538161E-02
2 42.1400000 0.392418E-01
3 13.1300000 0.157445E+00
4 4.6280000 0.358535E+00
5 1.6700000 0.457226E+00
6 0.5857000 0.215918E+00
7 0.1311000 0.664948E-02
8 0.0411200 -0.125304E-03
P 8
1 179.9000000 -0.865948E-03
2 42.1400000 -0.615978E-02
3 13.1300000 -0.261519E-01
4 4.6280000 -0.570647E-01
5 1.6700000 -0.873906E-01
6 0.5857000 -0.122990E-01
7 0.1311000 0.502085E+00
8 0.0411200 0.597245E+00
P 1
1 8.2790000 1.0000000
P 1
1 0.0411200 1.0000000
D 1
1 3.7040000 1.0000000
D 1
1 0.1870000 1.0000000
ALUMINUM
S 12
1 64150.0000000 0.290250E-03
2 9617.0000000 0.225064E-02
3 2189.0000000 0.116459E-01
4 620.5000000 0.467377E-01
5 202.7000000 0.146299E+00
6 73.1500000 0.330283E+00
7 28.5500000 0.415861E+00
8 11.7700000 0.189253E+00
9 3.3000000 0.115889E-01
10 1.1730000 -0.128385E-02
11 0.1752000 0.425883E-03
12 0.0647300 -0.199280E-03
S 12
1 64150.0000000 -0.758048E-04
2 9617.0000000 -0.581791E-03
3 2189.0000000 -0.308113E-02
4 620.5000000 -0.123112E-01
5 202.7000000 -0.419781E-01
6 73.1500000 -0.103371E+00
7 28.5500000 -0.196308E+00
8 11.7700000 -0.830002E-01
9 3.3000000 0.541040E+00
10 1.1730000 0.578796E+00
11 0.1752000 0.288147E-01
12 0.0647300 -0.953795E-02
S 12
1 64150.0000000 0.175078E-04
2 9617.0000000 0.134208E-03
3 2189.0000000 0.712442E-03
4 620.5000000 0.284330E-02
5 202.7000000 0.976842E-02
6 73.1500000 0.241850E-01
7 28.5500000 0.474993E-01
8 11.7700000 0.203621E-01
9 3.3000000 -0.158788E+00
10 1.1730000 -0.311694E+00
11 0.1752000 0.620147E+00
12 0.0647300 0.520943E+00
S 1
1 4.0300000 1.0000000
S 1
1 0.0647300 1.0000000
P 8
1 258.8000000 0.406847E-02
2 60.8900000 0.306815E-01
3 19.1400000 0.129149E+00
4 6.8810000 0.320831E+00
5 2.5740000 0.453815E+00
6 0.9572000 0.275066E+00
7 0.2099000 0.190807E-01
8 0.0598600 -0.312848E-02
P 8
1 258.8000000 -0.748053E-03
2 60.8900000 -0.545796E-02
3 19.1400000 -0.245371E-01
4 6.8810000 -0.582138E-01
5 2.5740000 -0.983756E-01
6 0.9572000 -0.260064E-01
7 0.2099000 0.464020E+00
8 0.0598600 0.648870E+00
P 1
1 1.5290000 1.0000000
P 1
1 0.0598600 1.0000000
D 1
1 4.7250000 1.0000000
D 1
1 0.1890000 1.0000000
SILICON
S 12
1 78860.0000000 0.270443E-03
2 11820.0000000 0.209717E-02
3 2692.0000000 0.108506E-01
4 763.4000000 0.436754E-01
5 249.6000000 0.137653E+00
6 90.2800000 0.316644E+00
7 35.2900000 0.418581E+00
8 14.5100000 0.210212E+00
9 4.0530000 0.144952E-01
10 1.4820000 -0.203590E-02
11 0.2517000 0.624186E-03
12 0.0924300 -0.282872E-03
S 12
1 78860.0000000 -0.723177E-04
2 11820.0000000 -0.555116E-03
3 2692.0000000 -0.293805E-02
4 763.4000000 -0.117687E-01
5 249.6000000 -0.402907E-01
6 90.2800000 -0.100609E+00
7 35.2900000 -0.196528E+00
8 14.5100000 -0.102382E+00
9 4.0530000 0.527190E+00
10 1.4820000 0.593251E+00
11 0.2517000 0.332652E-01
12 0.0924300 -0.973662E-02
S 12
1 78860.0000000 0.185113E-04
2 11820.0000000 0.142236E-03
3 2692.0000000 0.752185E-03
4 763.4000000 0.302279E-02
5 249.6000000 0.103677E-01
6 90.2800000 0.262563E-01
7 35.2900000 0.523989E-01
8 14.5100000 0.290959E-01
9 4.0530000 -0.178003E+00
10 1.4820000 -0.346874E+00
11 0.2517000 0.623020E+00
12 0.0924300 0.537712E+00
S 1
1 4.9590000 1.0000000
S 1
1 0.0924300 1.0000000
P 8
1 315.9000000 0.392656E-02
2 74.4200000 0.298811E-01
3 23.4800000 0.127212E+00
4 8.4880000 0.320943E+00
5 3.2170000 0.455429E+00
6 1.2290000 0.268563E+00
7 0.2964000 0.188336E-01
8 0.0876800 -0.262431E-02
P 8
1 315.9000000 -0.858302E-03
2 74.4200000 -0.630328E-02
3 23.4800000 -0.288255E-01
4 8.4880000 -0.694560E-01
5 3.2170000 -0.119493E+00
6 1.2290000 -0.199581E-01
7 0.2964000 0.510268E+00
8 0.0876800 0.600382E+00
P 1
1 1.9980000 1.0000000
P 1
1 0.0876800 1.0000000
D 1
1 5.8060000 1.0000000
D 1
1 0.2750000 1.0000000
PHOSPHORUS
S 12
1 94840.0000000 0.255509E-03
2 14220.0000000 0.198193E-02
3 3236.0000000 0.102760E-01
4 917.1000000 0.414823E-01
5 299.5000000 0.131984E+00
6 108.1000000 0.308662E+00
7 42.1800000 0.420647E+00
8 17.2800000 0.222878E+00
9 4.8580000 0.164035E-01
10 1.8180000 -0.254255E-02
11 0.3372000 0.748050E-03
12 0.1232000 -0.330963E-03
S 12
1 94840.0000000 -0.696939E-04
2 14220.0000000 -0.535266E-03
3 3236.0000000 -0.283709E-02
4 917.1000000 -0.113983E-01
5 299.5000000 -0.392929E-01
6 108.1000000 -0.996364E-01
7 42.1800000 -0.197983E+00
8 17.2800000 -0.114860E+00
9 4.8580000 0.518595E+00
10 1.8180000 0.601847E+00
11 0.3372000 0.368612E-01
12 0.1232000 -0.970759E-02
S 12
1 94840.0000000 0.191199E-04
2 14220.0000000 0.147223E-03
3 3236.0000000 0.777912E-03
4 917.1000000 0.314546E-02
5 299.5000000 0.108200E-01
6 108.1000000 0.279957E-01
7 42.1800000 0.563978E-01
8 17.2800000 0.358190E-01
9 4.8580000 -0.193387E+00
10 1.8180000 -0.372097E+00
11 0.3372000 0.624246E+00
12 0.1232000 0.551721E+00
S 1
1 5.9770000 1.0000000
S 1
1 0.1232000 1.0000000
P 8
1 370.5000000 0.395005E-02
2 87.3300000 0.302492E-01
3 27.5900000 0.129554E+00
4 10.0000000 0.327594E+00
5 3.8250000 0.456992E+00
6 1.4940000 0.253086E+00
7 0.3921000 0.168798E-01
8 0.1186000 -0.207093E-02
P 8
1 370.5000000 -0.959832E-03
2 87.3300000 -0.711177E-02
3 27.5900000 -0.327122E-01
4 10.0000000 -0.795784E-01
5 3.8250000 -0.135016E+00
6 1.4940000 -0.910585E-02
7 0.3921000 0.537802E+00
8 0.1186000 0.569066E+00
P 1
1 2.5240000 1.0000000
P 1
1 0.1186000 1.0000000
D 1
1 7.0200000 1.0000000
D 1
1 0.3730000 1.0000000
SULFUR
S 12
1 110800.0000000 0.247635E-03
2 16610.0000000 0.192026E-02
3 3781.0000000 0.996192E-02
4 1071.0000000 0.402975E-01
5 349.8000000 0.128604E+00
6 126.3000000 0.303480E+00
7 49.2600000 0.421432E+00
8 20.1600000 0.230781E+00
9 5.7200000 0.178971E-01
10 2.1820000 -0.297516E-02
11 0.4327000 0.849522E-03
12 0.1570000 -0.367936E-03
S 12
1 110800.0000000 -0.687039E-04
2 16610.0000000 -0.527681E-03
3 3781.0000000 -0.279671E-02
4 1071.0000000 -0.112651E-01
5 349.8000000 -0.388834E-01
6 126.3000000 -0.995025E-01
7 49.2600000 -0.199740E+00
8 20.1600000 -0.123360E+00
9 5.7200000 0.513194E+00
10 2.1820000 0.607120E+00
11 0.4327000 0.396753E-01
12 0.1570000 -0.946864E-02
S 12
1 110800.0000000 0.199077E-04
2 16610.0000000 0.153483E-03
3 3781.0000000 0.809503E-03
4 1071.0000000 0.328974E-02
5 349.8000000 0.112967E-01
6 126.3000000 0.296385E-01
7 49.2600000 0.599851E-01
8 20.1600000 0.413248E-01
9 5.7200000 -0.207474E+00
10 2.1820000 -0.392889E+00
11 0.4327000 0.632840E+00
12 0.1570000 0.556924E+00
S 1
1 7.0830000 1.0000000
S 1
1 0.1570000 1.0000000
P 8
1 399.7000000 0.447541E-02
2 94.1900000 0.341708E-01
3 29.7500000 0.144250E+00
4 10.7700000 0.353928E+00
5 4.1190000 0.459085E+00
6 1.6250000 0.206383E+00
7 0.4726000 0.102141E-01
8 0.1407000 -0.603122E-04
P 8
1 399.7000000 -0.116251E-02
2 94.1900000 -0.865664E-02
3 29.7500000 -0.390886E-01
4 10.7700000 -0.934625E-01
5 4.1190000 -0.147994E+00
6 1.6250000 0.301904E-01
7 0.4726000 0.561573E+00
8 0.1407000 0.534776E+00
P 1
1 3.0890000 1.0000000
P 1
1 0.1407000 1.0000000
D 1
1 8.3630000 1.0000000
D 1
1 0.4790000 1.0000000
CHLORINE
S 12
1 127900.0000000 0.241153E-03
2 19170.0000000 0.187095E-02
3 4363.0000000 0.970827E-02
4 1236.0000000 0.393153E-01
5 403.6000000 0.125932E+00
6 145.7000000 0.299341E+00
7 56.8100000 0.421886E+00
8 23.2300000 0.237201E+00
9 6.6440000 0.191531E-01
10 2.5750000 -0.334792E-02
11 0.5371000 0.929883E-03
12 0.1938000 -0.396379E-03
S 12
1 127900.0000000 -0.678922E-04
2 19170.0000000 -0.521836E-03
3 4363.0000000 -0.276513E-02
4 1236.0000000 -0.111537E-01
5 403.6000000 -0.385919E-01
6 145.7000000 -0.994848E-01
7 56.8100000 -0.201392E+00
8 23.2300000 -0.130313E+00
9 6.6440000 0.509443E+00
10 2.5750000 0.610725E+00
11 0.5371000 0.421549E-01
12 0.1938000 -0.923427E-02
S 12
1 127900.0000000 0.204986E-04
2 19170.0000000 0.158298E-03
3 4363.0000000 0.833639E-03
4 1236.0000000 0.339880E-02
5 403.6000000 0.116738E-01
6 145.7000000 0.309622E-01
7 56.8100000 0.629533E-01
8 23.2300000 0.460257E-01
9 6.6440000 -0.219312E+00
10 2.5750000 -0.408773E+00
11 0.5371000 0.638465E+00
12 0.1938000 0.562362E+00
S 1
1 8.2730000 1.0000000
S 1
1 0.1938000 1.0000000
P 8
1 417.6000000 0.525982E-02
2 98.3300000 0.398332E-01
3 31.0400000 0.164655E+00
4 11.1900000 0.387322E+00
5 4.2490000 0.457072E+00
6 1.6240000 0.151636E+00
7 0.5322000 0.181615E-02
8 0.1620000 0.188296E-02
P 8
1 417.6000000 -0.143570E-02
2 98.3300000 -0.107796E-01
3 31.0400000 -0.470075E-01
4 11.1900000 -0.111030E+00
5 4.2490000 -0.153275E+00
6 1.6240000 0.894609E-01
7 0.5322000 0.579444E+00
8 0.1620000 0.483272E+00
P 1
1 3.6970000 1.0000000
P 1
1 0.1620000 1.0000000
D 1
1 9.8440000 1.0000000
D 1
1 0.6000000 1.0000000
ARGON
S 12
1 145700.0000000 0.236700E-03
2 21840.0000000 0.183523E-02
3 4972.0000000 0.952860E-02
4 1408.0000000 0.386283E-01
5 459.7000000 0.124081E+00
6 165.9000000 0.296471E+00
7 64.6900000 0.422068E+00
8 26.4400000 0.241711E+00
9 7.6280000 0.200509E-01
10 2.9960000 -0.361000E-02
11 0.6504000 0.975607E-03
12 0.2337000 -0.411316E-03
S 12
1 145700.0000000 -0.674910E-04
2 21840.0000000 -0.518522E-03
3 4972.0000000 -0.274825E-02
4 1408.0000000 -0.111007E-01
5 459.7000000 -0.384820E-01
6 165.9000000 -0.997599E-01
7 64.6900000 -0.203088E+00
8 26.4400000 -0.135608E+00
9 7.6280000 0.507195E+00
10 2.9960000 0.612898E+00
11 0.6504000 0.442968E-01
12 0.2337000 -0.899278E-02
S 12
1 145700.0000000 0.210457E-04
2 21840.0000000 0.162565E-03
3 4972.0000000 0.855463E-03
4 1408.0000000 0.349745E-02
5 459.7000000 0.120156E-01
6 165.9000000 0.321368E-01
7 64.6900000 0.655279E-01
8 26.4400000 0.499370E-01
9 7.6280000 -0.229769E+00
10 2.9960000 -0.421006E+00
11 0.6504000 0.642331E+00
12 0.2337000 0.567540E+00
S 1
1 9.5480000 1.0000000
S 1
1 0.2337000 1.0000000
P 8
1 453.7000000 0.570555E-02
2 106.8000000 0.430460E-01
3 33.7300000 0.176591E+00
4 12.1300000 0.406863E+00
5 4.5940000 0.452549E+00
6 1.6780000 0.122801E+00
7 0.5909000 -0.445996E-02
8 0.1852000 0.205225E-02
P 8
1 453.7000000 -0.160655E-02
2 106.8000000 -0.121714E-01
3 33.7300000 -0.520789E-01
4 12.1300000 -0.123737E+00
5 4.5940000 -0.151619E+00
6 1.6780000 0.142425E+00
7 0.5909000 0.584501E+00
8 0.1852000 0.437540E+00
P 1
1 4.3610000 1.0000000
P 1
1 0.1852000 1.0000000
D 1
1 11.4590000 1.0000000
D 1
1 0.7380000 1.0000000
CALCIUM
S 14
1 190000.7000000 0.00022145
2 28481.4600000 0.00171830
3 6482.7010000 0.00892348
4 1835.8910000 0.03630183
5 598.7243000 0.11762223
6 215.8841000 0.28604352
7 84.0124200 0.42260708
8 34.2248800 0.25774366
9 10.0249700 0.02391893
10 4.0559200 -0.00495218
11 1.0202610 0.00171779
12 0.4268650 -0.00089209
13 0.0633470 0.00024510
14 0.0263010 -0.00012395
S 14
1 190000.7000000 -0.00006453
2 28481.4600000 -0.00049662
3 6482.7010000 -0.00262826
4 1835.8910000 -0.01066845
5 598.7243000 -0.03713509
6 215.8841000 -0.09804284
7 84.0124200 -0.20342692
8 34.2248800 -0.15244655
9 10.0249700 0.48279406
10 4.0559200 0.62923839
11 1.0202610 0.06164842
12 0.4268650 -0.01479971
13 0.0633470 0.00361089
14 0.0263010 -0.00179273
S 14
1 190000.7000000 0.00002223
2 28481.4600000 0.00017170
3 6482.7010000 0.00090452
4 1835.8910000 0.00370343
5 598.7243000 0.01283750
6 215.8841000 0.03475459
7 84.0124200 0.07303491
8 34.2248800 0.06100083
9 10.0249700 -0.24292928
10 4.0559200 -0.48708500
11 1.0202610 0.56502804
12 0.4268650 0.65574386
13 0.0633470 0.02672894
14 0.0263010 -0.00999959
S 14
1 190000.7000000 0.00000531
2 28481.4600000 0.00004111
3 6482.7010000 0.00021568
4 1835.8910000 0.00088827
5 598.7243000 0.00305813
6 215.8841000 0.00837608
7 84.0124200 0.01741056
8 34.2248800 0.01515453
9 10.0249700 -0.06207919
10 4.0559200 -0.12611803
11 1.0202610 0.17360694
12 0.4268650 0.37822943
13 0.0633470 -0.65964698
14 0.0263010 -0.49022159
S 1
1 1.1143000 1.0000000
S 1
1 0.0263010 1.0000000
P 11
1 1072.0430000 0.00198166
2 253.8439000 0.01612944
3 81.3162600 0.07657851
4 30.2418300 0.23269594
5 12.1011000 0.42445210
6 5.0225540 0.37326402
7 1.9092200 0.07868530
8 0.7713040 -0.00599927
9 0.3005700 0.00264257
10 0.0766490 -0.00085694
11 0.0277720 0.00033147
P 11
1 1072.0430000 -0.00064891
2 253.8439000 -0.00527907
3 81.3162600 -0.02581131
4 30.2418300 -0.08062892
5 12.1011000 -0.15846552
6 5.0225540 -0.12816816
7 1.9092200 0.25610103
8 0.7713040 0.58724068
9 0.3005700 0.30372561
10 0.0766490 0.01416451
11 0.0277720 -0.00115224
P 11
1 1072.0430000 0.00013595
2 253.8439000 0.00109420
3 81.3162600 0.00542680
4 30.2418300 0.01674718
5 12.1011000 0.03389863
6 5.0225540 0.02531183
7 1.9092200 -0.05895713
8 0.7713040 -0.15876120
9 0.3005700 -0.08554523
10 0.0766490 0.54464665
11 0.0277720 0.56631276
P 1
1 1.5101000 1.0000000
P 1
1 0.0277720 1.00000000
D 5
1 10.3182000 0.03284900
2 2.5924200 0.14819200
3 0.7617000 0.31092100
4 0.2083800 0.45219500
5 0.0537000 0.48086500
D 1
1 1.3743000 1.0000000
D 1
1 0.0537000 1.00000000
COPPER
S 20
1 5.430321E+06 7.801026E-06
2 8.131665E+05 6.065666E-05
3 1.850544E+05 3.188964E-04
4 5.241466E+04 1.344687E-03
5 1.709868E+04 4.869050E-03
6 6.171994E+03 1.561013E-02
7 2.406481E+03 4.452077E-02
8 9.972584E+02 1.103111E-01
9 4.339289E+02 2.220342E-01
10 1.962869E+02 3.133739E-01
11 9.104280E+01 2.315121E-01
12 4.138425E+01 7.640920E-02
13 1.993278E+01 1.103818E-01
14 9.581891E+00 1.094372E-01
15 4.234516E+00 1.836311E-02
16 1.985814E+00 -6.043084E-04
17 8.670830E-01 5.092245E-05
18 1.813390E-01 -5.540730E-05
19 8.365700E-02 3.969482E-05
20 3.626700E-02 -1.269538E-05
S 20
1 5.430321E+06 -4.404706E-06
2 8.131665E+05 -3.424801E-05
3 1.850544E+05 -1.801238E-04
4 5.241466E+04 -7.600455E-04
5 1.709868E+04 -2.759348E-03
6 6.171994E+03 -8.900970E-03
7 2.406481E+03 -2.579378E-02
8 9.972584E+02 -6.623861E-02
9 4.339289E+02 -1.445927E-01
10 1.962869E+02 -2.440110E-01
11 9.104280E+01 -2.504837E-01
12 4.138425E+01 2.852577E-02
13 1.993278E+01 5.115874E-01
14 9.581891E+00 4.928061E-01
15 4.234516E+00 8.788437E-02
16 1.985814E+00 -5.820281E-03
17 8.670830E-01 2.013508E-04
18 1.813390E-01 -5.182553E-04
19 8.365700E-02 3.731503E-04
20 3.626700E-02 -1.193171E-04
S 20
1 5.430321E+06 9.704682E-07
2 8.131665E+05 7.549245E-06
3 1.850544E+05 3.968892E-05
4 5.241466E+04 1.677200E-04
5 1.709868E+04 6.095101E-04
6 6.171994E+03 1.978846E-03
7 2.406481E+03 5.798049E-03
8 9.972584E+02 1.534158E-02
9 4.339289E+02 3.540484E-02
10 1.962869E+02 6.702098E-02
11 9.104280E+01 8.026945E-02
12 4.138425E+01 -1.927231E-02
13 1.993278E+01 -3.160129E-01
14 9.581891E+00 -4.573162E-01
15 4.234516E+00 1.550841E-01
16 1.985814E+00 7.202872E-01
17 8.670830E-01 3.885122E-01
18 1.813390E-01 1.924326E-02
19 8.365700E-02 -7.103807E-03
20 3.626700E-02 3.272906E-03
S 20
1 5.430321E+06 -1.959354E-07
2 8.131665E+05 -1.523472E-06
3 1.850544E+05 -8.014808E-06
4 5.241466E+04 -3.383992E-05
5 1.709868E+04 -1.231191E-04
6 6.171994E+03 -3.992085E-04
7 2.406481E+03 -1.171900E-03
8 9.972584E+02 -3.096141E-03
9 4.339289E+02 -7.171993E-03
10 1.962869E+02 -1.356621E-02
11 9.104280E+01 -1.643989E-02
12 4.138425E+01 4.107628E-03
13 1.993278E+01 6.693964E-02
14 9.581891E+00 1.028221E-01
15 4.234516E+00 -4.422945E-02
16 1.985814E+00 -2.031191E-01
17 8.670830E-01 -2.230022E-01
18 1.813390E-01 2.517975E-01
19 8.365700E-02 5.650091E-01
20 3.626700E-02 3.247243E-01
S 20
1 5.430321E+06 -7.508267E-07
2 8.131665E+05 -5.972018E-06
3 1.850544E+05 -3.039682E-05
4 5.241466E+04 -1.340405E-04
5 1.709868E+04 -4.615778E-04
6 6.171994E+03 -1.601064E-03
7 2.406481E+03 -4.330942E-03
8 9.972584E+02 -1.265434E-02
9 4.339289E+02 -2.586864E-02
10 1.962869E+02 -5.835428E-02
11 9.104280E+01 -5.132322E-02
12 4.138425E+01 -1.908953E-02
13 1.993278E+01 3.586116E-01
14 9.581891E+00 3.885818E-01
15 4.234516E+00 -3.057106E-01
16 1.985814E+00 -2.069896E+00
17 8.670830E-01 2.431774E+00
18 1.813390E-01 -2.121974E-02
19 8.365700E-02 -1.820251E+00
20 3.626700E-02 1.434585E+00
S 20
1 5.430321E+06 -3.532229E-07
2 8.131665E+05 -2.798812E-06
3 1.850544E+05 -1.432517E-05
4 5.241466E+04 -6.270946E-05
5 1.709868E+04 -2.179490E-04
6 6.171994E+03 -7.474316E-04
7 2.406481E+03 -2.049271E-03
8 9.972584E+02 -5.885203E-03
9 4.339289E+02 -1.226885E-02
10 1.962869E+02 -2.683147E-02
11 9.104280E+01 -2.479261E-02
12 4.138425E+01 -5.984746E-03
13 1.993278E+01 1.557124E-01
14 9.581891E+00 1.436683E-01
15 4.234516E+00 8.374103E-03
16 1.985814E+00 -7.460711E-01
17 8.670830E-01 1.244367E-01
18 1.813390E-01 1.510110E+00
19 8.365700E-02 -3.477122E-01
20 3.626700E-02 -9.774169E-01
S 1
1 3.626700E-02 1.000000E+00
S 1
1 0.0157200 1.0000000
P 16
1 2.276057E+04 4.000000E-05
2 5.387679E+03 3.610000E-04
3 1.749945E+03 2.083000E-03
4 6.696653E+02 9.197000E-03
5 2.841948E+02 3.266000E-02
6 1.296077E+02 9.379500E-02
7 6.225415E+01 2.082740E-01
8 3.092964E+01 3.339930E-01
9 1.575827E+01 3.324930E-01
10 8.094211E+00 1.547280E-01
11 4.046921E+00 2.127100E-02
12 1.967869E+00 -1.690000E-03
13 9.252950E-01 -1.516000E-03
14 3.529920E-01 -2.420000E-04
15 1.273070E-01 2.300000E-05
16 4.435600E-02 -9.000000E-06
P 16
1 2.276057E+04 -1.500000E-05
2 5.387679E+03 -1.310000E-04
3 1.749945E+03 -7.550000E-04
4 6.696653E+02 -3.359000E-03
5 2.841948E+02 -1.208100E-02
6 1.296077E+02 -3.570300E-02
7 6.225415E+01 -8.250200E-02
8 3.092964E+01 -1.398900E-01
9 1.575827E+01 -1.407290E-01
10 8.094211E+00 3.876600E-02
11 4.046921E+00 3.426950E-01
12 1.967869E+00 4.523100E-01
13 9.252950E-01 2.770540E-01
14 3.529920E-01 4.388500E-02
15 1.273070E-01 -2.802000E-03
16 4.435600E-02 1.152000E-03
P 16
1 2.276057E+04 5.000000E-06
2 5.387679E+03 4.900000E-05
3 1.749945E+03 2.780000E-04
4 6.696653E+02 1.253000E-03
5 2.841948E+02 4.447000E-03
6 1.296077E+02 1.337000E-02
7 6.225415E+01 3.046900E-02
8 3.092964E+01 5.344700E-02
9 1.575827E+01 5.263900E-02
10 8.094211E+00 -1.688100E-02
11 4.046921E+00 -1.794480E-01
12 1.967869E+00 -2.095880E-01
13 9.252950E-01 -3.963300E-02
14 3.529920E-01 5.021300E-01
15 1.273070E-01 5.811110E-01
16 4.435600E-02 4.566600E-02
P 16
1 2.276057E+04 1.100000E-05
2 5.387679E+03 9.600000E-05
3 1.749945E+03 5.900000E-04
4 6.696653E+02 2.484000E-03
5 2.841948E+02 9.463000E-03
6 1.296077E+02 2.645300E-02
7 6.225415E+01 6.568900E-02
8 3.092964E+01 1.027320E-01
9 1.575827E+01 1.370410E-01
10 8.094211E+00 -7.096100E-02
11 4.046921E+00 -5.047080E-01
12 1.967869E+00 -4.780560E-01
13 9.252950E-01 9.428920E-01
14 3.529920E-01 5.446990E-01
15 1.273070E-01 -8.327660E-01
16 4.435600E-02 -1.084160E-01
P 16
1 2.276057E+04 3.000000E-06
2 5.387679E+03 2.500000E-05
3 1.749945E+03 1.470000E-04
4 6.696653E+02 6.560000E-04
5 2.841948E+02 2.351000E-03
6 1.296077E+02 7.004000E-03
7 6.225415E+01 1.613100E-02
8 3.092964E+01 2.777000E-02
9 1.575827E+01 2.756700E-02
10 8.094211E+00 -1.011500E-02
11 4.046921E+00 -8.100900E-02
12 1.967869E+00 -1.104090E-01
13 9.252950E-01 -7.173200E-02
14 3.529920E-01 1.879300E-01
15 1.273070E-01 5.646290E-01
16 4.435600E-02 4.070000E-01
P 1
1 4.435600E-02 1.000000E+00
P 1
1 0.0154500 1.0000000
D 8
1 1.738970E+02 2.700000E-03
2 5.188690E+01 2.090900E-02
3 1.934190E+01 8.440800E-02
4 7.975720E+00 2.139990E-01
5 3.398230E+00 3.359800E-01
6 1.409320E+00 3.573010E-01
7 5.488580E-01 2.645780E-01
8 1.901990E-01 1.039720E-01
D 8
1 1.738970E+02 -3.363000E-03
2 5.188690E+01 -2.607900E-02
3 1.934190E+01 -1.082310E-01
4 7.975720E+00 -2.822170E-01
5 3.398230E+00 -3.471900E-01
6 1.409320E+00 2.671100E-02
7 5.488580E-01 4.920470E-01
8 1.901990E-01 4.384220E-01
D 8
1 1.738970E+02 4.133000E-03
2 5.188690E+01 3.308500E-02
3 1.934190E+01 1.383360E-01
4 7.975720E+00 3.901660E-01
5 3.398230E+00 1.698420E-01
6 1.409320E+00 -6.830180E-01
7 5.488580E-01 -2.657970E-01
8 1.901990E-01 8.380630E-01
D 1
1 1.901990E-01 1.000000E+00
D 1
1 0.0659100 1.0000000
F 1
1 5.082100E+00 1.000000E+00
F 1
1 1.279700E+00 1.000000E+00
F 1
1 0.4617200 1.0000000
G 1
1 3.483500E+00 1.0000000
G 1
1 1.4597900 1.0000000
$END