!---------------------------------------------------------------------- ! 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