!---------------------------------------------------------------------- ! Basis Set Exchange ! Version 2.1.0+44.g1191679.dirty ! https://www.basissetexchange.org !---------------------------------------------------------------------- ! Basis set: aug-cc-pCVTZ ! Description: TZP Triple Zeta + Polarization + Tight Core + Diffuse ! 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 S 1 1 0.0076000 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 P 1 1 0.0091000 1.0000000 D 1 1 4.9120000 1.0000000 D 1 1 0.1874000 1.0000000 D 1 1 0.0801000 1.0000000 D 1 1 0.0371000 1.0000000 F 1 1 0.1829000 1.0000000 F 1 1 0.0816000 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 S 1 1 0.0150300 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 P 1 1 0.0070600 1.0000000 D 1 1 9.1830000 1.0000000 D 1 1 0.3480000 1.0000000 D 1 1 0.1803000 1.0000000 D 1 1 0.0654000 1.0000000 F 1 1 0.3250000 1.0000000 F 1 1 0.1533000 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 S 1 1 0.0291400 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 P 1 1 0.0209600 1.0000000 D 1 1 13.0150000 1.0000000 D 1 1 0.6610000 1.0000000 D 1 1 0.1990000 1.0000000 D 1 1 0.0604000 1.0000000 F 1 1 0.4900000 1.0000000 F 1 1 0.1630000 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 S 1 1 0.0440200 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 P 1 1 0.0356900 1.0000000 D 1 1 14.8390000 1.0000000 D 1 1 1.0970000 1.0000000 D 1 1 0.3180000 1.0000000 D 1 1 0.1000000 1.0000000 F 1 1 0.7610000 1.0000000 F 1 1 0.2680000 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 S 1 1 0.0576000 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 P 1 1 0.0491000 1.0000000 D 1 1 14.2000000 1.0000000 D 1 1 1.6540000 1.0000000 D 1 1 0.4690000 1.0000000 D 1 1 0.1510000 1.0000000 F 1 1 1.0930000 1.0000000 F 1 1 0.3640000 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 S 1 1 0.0737600 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 P 1 1 0.0597400 1.0000000 D 1 1 15.8580000 1.0000000 D 1 1 2.3140000 1.0000000 D 1 1 0.6450000 1.0000000 D 1 1 0.2140000 1.0000000 F 1 1 1.4280000 1.0000000 F 1 1 0.5000000 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 S 1 1 0.0915800 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 P 1 1 0.0736100 1.0000000 D 1 1 19.1080000 1.0000000 D 1 1 3.1070000 1.0000000 D 1 1 0.8550000 1.0000000 D 1 1 0.2920000 1.0000000 F 1 1 1.9170000 1.0000000 F 1 1 0.7240000 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 S 1 1 0.1133000 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 P 1 1 0.0917500 1.0000000 D 1 1 23.1680000 1.0000000 D 1 1 4.0140000 1.0000000 D 1 1 1.0960000 1.0000000 D 1 1 0.3860000 1.0000000 F 1 1 2.5440000 1.0000000 F 1 1 1.0840000 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 S 1 1 0.0066500 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 P 1 1 0.0070000 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 D 1 1 0.0223000 1.0000000 F 1 1 3.4650000 1.0000000 F 1 1 0.1397000 1.0000000 F 1 1 0.0714000 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 S 1 1 0.0129000 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 P 1 1 0.0074500 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 D 1 1 0.0468000 1.0000000 F 1 1 4.5300000 1.0000000 F 1 1 0.2520000 1.0000000 F 1 1 0.0940000 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 S 1 1 0.0221000 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 P 1 1 0.0146000 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 D 1 1 0.0356000 1.0000000 F 1 1 5.6860000 1.0000000 F 1 1 0.2440000 1.0000000 F 1 1 0.0858000 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 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-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 P 1 1 0.0237000 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 D 1 1 0.0556000 1.0000000 F 1 1 7.0010000 1.0000000 F 1 1 0.3360000 1.0000000 F 1 1 0.1250000 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 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