/usr/share/nwchem/libraries/cc-pwcvtz-dk is in nwchem-data 6.6+r27746-2.
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# Elements References
# -------- ----------
# Sc - Zn: N.B. Balabanov and K.A. Peterson, J. Chem. Phys., accepted (2005).
# Y Zr Nb Mo Tc Ru Rh Pd : K.A. Peterson, D. Figgen, M. Dolg, H. Stoll, Energy-consistent relativistic pseudopotentials and correlation consistent basis sets for the 4d elements Y-Pd, Journal of Chemical Physics 126, 124101 (2007).
#
basis "Sc_cc-pwCVTZ-DK" SPHERICAL
Sc S
2715278.0000000 0.0001060 -0.0000610 0.0000120 -0.0000030 -0.0000050 -0.0000080
406598.4000000 0.0003170 -0.0001820 0.0000360 -0.0000090 -0.0000150 -0.0000240
92530.0400000 0.0009050 -0.0005200 0.0001020 -0.0000250 -0.0000430 -0.0000670
26207.9200000 0.0024640 -0.0014170 0.0002800 -0.0000680 -0.0001190 -0.0001900
8549.4290000 0.0067800 -0.0039120 0.0007740 -0.0001870 -0.0003170 -0.0004920
3085.9750000 0.0186790 -0.0108530 0.0021630 -0.0005230 -0.0009330 -0.0015120
1203.1720000 0.0494180 -0.0291550 0.0058830 -0.0014240 -0.0023690 -0.0036160
498.4869000 0.1172100 -0.0716000 0.0148870 -0.0035970 -0.0065510 -0.0107900
216.7360000 0.2280410 -0.1504450 0.0331320 -0.0080330 -0.0129980 -0.0193510
97.8747600 0.3098720 -0.2435420 0.0602850 -0.0145980 -0.0278890 -0.0476760
45.2043300 0.2175500 -0.2334530 0.0674590 -0.0165140 -0.0226520 -0.0281580
20.2118700 0.0724860 0.0449970 -0.0250150 0.0062890 -0.0046730 -0.0279470
9.5747510 0.1159500 0.4960340 -0.2708040 0.0682630 0.1586420 0.3104550
4.5403460 0.1166380 0.4848560 -0.4320030 0.1165590 0.1412640 0.1769890
1.9956870 0.0198230 0.0875670 0.0764930 -0.0299490 0.0934350 0.2158550
0.9422150 -0.0004880 -0.0052830 0.7030970 -0.2308390 -0.8973280 -2.3880850
0.4178450 0.0001830 0.0006420 0.4425890 -0.3023230 0.0597060 2.3878380
0.0957610 -0.0000700 -0.0006970 0.0281380 0.2699030 2.3097260 0.8272680
0.0513510 0.0000630 0.0005790 -0.0122190 0.5919260 -1.2862210 -3.3417860
Sc S
0.0238780 1.0000000
Sc S
2.6472000 1.0000000
Sc S
0.6217000 1.0000000
Sc P
10592.1900000 0.0001010 -0.0000330 -0.0000080 0.0000100 0.0000200
2507.5330000 0.0005310 -0.0001740 -0.0000420 0.0000520 0.0000990
814.4571000 0.0026120 -0.0008600 -0.0002100 0.0002530 0.0005400
311.5195000 0.0106240 -0.0035150 -0.0008550 0.0010510 0.0019760
131.9617000 0.0359750 -0.0120540 -0.0029520 0.0035550 0.0076190
59.9871800 0.0992420 -0.0340690 -0.0083120 0.0102180 0.0189350
28.6625000 0.2117340 -0.0752130 -0.0185310 0.0222040 0.0488650
14.1085100 0.3300720 -0.1224250 -0.0300330 0.0372860 0.0648610
7.1037060 0.3297560 -0.1293380 -0.0326410 0.0378240 0.1074880
3.6092000 0.1568380 0.0162740 0.0083480 -0.0049720 -0.0607580
1.7760700 0.0218050 0.3101820 0.0879920 -0.1112850 -0.1669220
0.8547600 -0.0017970 0.4626890 0.1519130 -0.1627100 -0.7590390
0.4022390 -0.0014350 0.3035190 0.0964060 -0.1826910 0.6295020
0.1546800 -0.0003000 0.0505150 -0.2563870 0.3998710 1.1637940
0.0648880 0.0000370 -0.0043930 -0.5874490 0.6854100 -1.0239170
Sc P
0.0263010 1.0000000
Sc P
3.4418000 1.0000000
Sc P
0.8084000 1.0000000
Sc D
50.6542000 0.0042520 -0.0043960 0.0057630
14.7325000 0.0274650 -0.0282630 0.0364360
5.1804600 0.0992270 -0.1047920 0.1387320
2.0195900 0.2299670 -0.2343530 0.3008260
0.7992190 0.3442870 -0.3255090 0.3149790
0.3053160 0.3736260 -0.0699950 -0.7436330
0.1104440 0.2680210 0.5949220 -0.2346380
Sc D
0.0370650 1.0000000
Sc D
1.8520000 1.0000000
Sc D
0.7875000 1.0000000
Sc F
2.1048000 1.0000000
Sc F
0.6587000 1.0000000
Sc F
0.1636000 1.0000000
Sc G
1.7850000 1.0000000
Sc G
0.4112000 1.0000000
end
basis "Ti_cc-pwCVTZ-DK" SPHERICAL
Ti S
3014643.0000000 0.0001120 -0.0000630 0.0000130 -0.0000030 -0.0000060 -0.0000090
451432.9000000 0.0003320 -0.0001890 0.0000380 -0.0000090 -0.0000170 -0.0000270
102733.8000000 0.0009400 -0.0005350 0.0001090 -0.0000260 -0.0000480 -0.0000750
29098.1700000 0.0025320 -0.0014430 0.0002940 -0.0000700 -0.0001310 -0.0002080
9492.3300000 0.0068790 -0.0039330 0.0008030 -0.0001910 -0.0003460 -0.0005370
3426.3460000 0.0187490 -0.0107960 0.0022200 -0.0005260 -0.0010090 -0.0016170
1335.8960000 0.0492940 -0.0288290 0.0059990 -0.0014240 -0.0025320 -0.0038870
553.5026000 0.1166940 -0.0706740 0.0151490 -0.0035930 -0.0070420 -0.0114190
240.6925000 0.2273250 -0.1487780 0.0337330 -0.0080220 -0.0138290 -0.0208780
108.7293000 0.3105540 -0.2420600 0.0615630 -0.0146460 -0.0302210 -0.0503970
50.2645700 0.2205840 -0.2347210 0.0694620 -0.0166610 -0.0239810 -0.0320930
22.5800400 0.0732470 0.0422060 -0.0241550 0.0058890 -0.0071850 -0.0269460
10.7143200 0.1131540 0.4983350 -0.2789840 0.0693470 0.1758840 0.3275740
5.0935460 0.1136590 0.4868870 -0.4386710 0.1159210 0.1462460 0.2147230
2.2441830 0.0193160 0.0879040 0.0909060 -0.0327170 0.0971840 0.1170160
1.0595700 -0.0004650 -0.0052640 0.7091310 -0.2334140 -1.0017360 -2.4080240
0.4688490 0.0001590 0.0005520 0.4311640 -0.2869410 0.1999570 2.5936190
0.1061430 -0.0000590 -0.0006280 0.0258980 0.2839540 2.2181040 0.1447480
0.0552620 0.0000620 0.0005530 -0.0110070 0.5841130 -1.3423230 -2.5253120
Ti S
0.0254650 1.0000000
Ti S
2.9691000 1.0000000
Ti S
0.7105000 1.0000000
Ti P
11912.0300000 0.0001040 -0.0000350 0.0000080 0.0000100 0.0000210
2819.9470000 0.0005330 -0.0001790 0.0000430 0.0000540 0.0001010
915.9479000 0.0025880 -0.0008700 0.0002090 0.0002610 0.0005360
350.3842000 0.0104700 -0.0035410 0.0008480 0.0010710 0.0019840
148.4825000 0.0354710 -0.0121500 0.0029250 0.0036390 0.0075290
67.5394400 0.0981640 -0.0344710 0.0082760 0.0104610 0.0191510
32.3033200 0.2106310 -0.0765940 0.0185500 0.0229850 0.0486770
15.9278600 0.3301970 -0.1256220 0.0303400 0.0386720 0.0671790
8.0380350 0.3305000 -0.1320480 0.0327150 0.0394990 0.1039430
4.0939160 0.1571860 0.0193960 -0.0087200 -0.0068990 -0.0555620
2.0223900 0.0219670 0.3164550 -0.0886360 -0.1146250 -0.1916650
0.9761020 -0.0017610 0.4614890 -0.1491650 -0.1708870 -0.6969070
0.4595950 -0.0014300 0.2980100 -0.0932320 -0.1652610 0.5747490
0.1771950 -0.0002900 0.0495170 0.2507080 0.4058580 1.1704990
0.0734420 0.0000340 -0.0041080 0.5861800 0.6742340 -1.0063770
Ti P
0.0293340 1.0000000
Ti P
4.0234000 1.0000000
Ti P
0.9417000 1.0000000
Ti D
64.3402000 0.0038830 -0.0039790 0.0063860
18.8418000 0.0262040 -0.0267640 0.0433010
6.7198300 0.0968870 -0.1018940 0.1702500
2.6561300 0.2316310 -0.2371110 0.3719460
1.0736800 0.3519720 -0.3132860 0.2303500
0.4205570 0.3725630 -0.0465630 -0.7820270
0.1548170 0.2505630 0.5840720 -0.1235850
Ti D
0.0514900 1.0000000
Ti D
2.3834000 1.0000000
Ti D
1.0775000 1.0000000
Ti F
2.8376000 1.0000000
Ti F
0.9633000 1.0000000
Ti F
0.2788000 1.0000000
Ti G
2.4639000 1.0000000
Ti G
0.7092000 1.0000000
end
basis "V_cc-pwCVTZ-DK" SPHERICAL
V S
3321857.0000000 0.0001180 -0.0000660 0.0000140 -0.0000030 -0.0000060 -0.0000100
497435.6000000 0.0003490 -0.0001940 0.0000410 -0.0000100 -0.0000180 -0.0000290
113202.7000000 0.0009820 -0.0005450 0.0001150 -0.0000270 -0.0000510 -0.0000810
32063.3300000 0.0026180 -0.0014570 0.0003080 -0.0000720 -0.0001410 -0.0002240
10459.6200000 0.0070320 -0.0039270 0.0008330 -0.0001940 -0.0003660 -0.0005750
3775.5060000 0.0189660 -0.0106680 0.0022780 -0.0005300 -0.0010610 -0.0017020
1472.0400000 0.0495440 -0.0283160 0.0061170 -0.0014250 -0.0026350 -0.0040970
609.9331000 0.1170070 -0.0692880 0.0154080 -0.0035890 -0.0073430 -0.0118930
265.2634000 0.2280590 -0.1461110 0.0343010 -0.0080030 -0.0143270 -0.0220220
119.8607000 0.3128050 -0.2389450 0.0627220 -0.0146610 -0.0316410 -0.0524010
55.4489100 0.2243300 -0.2339170 0.0710470 -0.0167040 -0.0247500 -0.0349980
24.9837200 0.0735890 0.0421070 -0.0241190 0.0057060 -0.0086380 -0.0258510
11.8805600 0.1075150 0.5024910 -0.2872100 0.0703560 0.1872210 0.3416980
5.6603110 0.1073700 0.4878150 -0.4426090 0.1145620 0.1479670 0.2399620
2.4957030 0.0180480 0.0873120 0.1068750 -0.0359500 0.0933070 0.0310030
1.1778660 -0.0004330 -0.0053530 0.7133290 -0.2344200 -1.0567540 -2.3835830
0.5200440 0.0001240 0.0004350 0.4194430 -0.2726820 0.2916520 2.6992870
0.1159650 -0.0000460 -0.0005700 0.0238310 0.2965280 2.1339990 -0.2788310
0.0589380 0.0000590 0.0005410 -0.0098830 0.5772100 -1.3543780 -1.9836530
V S
0.0269460 1.0000000
V S
3.3258000 1.0000000
V S
0.8242000 1.0000000
V P
13273.2000000 0.0001080 -0.0000370 0.0000090 0.0000110 0.0000230
3142.1260000 0.0005390 -0.0001840 0.0000440 0.0000560 0.0001070
1020.5880000 0.0025820 -0.0008830 0.0002140 0.0002660 0.0005570
390.4407000 0.0103900 -0.0035760 0.0008620 0.0010870 0.0020550
165.5043000 0.0351890 -0.0122640 0.0029720 0.0036880 0.0077880
75.3200600 0.0975890 -0.0348910 0.0084410 0.0106400 0.0198910
36.0550300 0.2102360 -0.0778890 0.0189950 0.0234680 0.0507500
17.8043600 0.3306940 -0.1284150 0.0312890 0.0397630 0.0705330
9.0029290 0.3306980 -0.1338960 0.0333380 0.0401880 0.1081080
4.5945440 0.1567000 0.0231590 -0.0100750 -0.0080990 -0.0606770
2.2767600 0.0218570 0.3220750 -0.0925620 -0.1183280 -0.2162910
1.1011780 -0.0017680 0.4598860 -0.1488610 -0.1730030 -0.6786280
0.5186380 -0.0014570 0.2931220 -0.0823020 -0.1539630 0.6035630
0.2005740 -0.0002830 0.0484450 0.2504590 0.4118200 1.1148540
0.0812170 0.0000310 -0.0037030 0.5799250 0.6696520 -0.9880720
V P
0.0317330 1.0000000
V P
4.6724000 1.0000000
V P
1.0866000 1.0000000
V D
78.2841000 0.0035870 -0.0038180 0.0059800
23.0120000 0.0249740 -0.0265310 0.0417790
8.2901600 0.0940290 -0.1030470 0.1689470
3.3079100 0.2290420 -0.2466900 0.3831330
0.5392580 0.3708890 -0.0275810 -0.7715530
0.2012550 0.2485580 0.5660110 -0.1298600
V D
0.0671460 1.0000000
V D
1.3555500 1.0000000
V D
2.9240000 1.0000000
V F
3.6188000 1.0000000
V F
1.2846000 1.0000000
V F
0.4057000 1.0000000
V G
3.3272000 1.0000000
V G
1.1127000 1.0000000
end
basis "Cr_cc-pwCVTZ-DK" SPHERICAL
Cr S
6177194.0000000 0.0000840 -0.0000460 0.0000100 -0.0000020 0.0000040 -0.0000070
924929.5000000 0.0002410 -0.0001340 0.0000290 -0.0000070 0.0000130 -0.0000210
210486.5000000 0.0006580 -0.0003640 0.0000780 -0.0000180 0.0000360 -0.0000580
59620.0500000 0.0016730 -0.0009270 0.0002000 -0.0000450 0.0000880 -0.0001450
19450.7600000 0.0042480 -0.0023610 0.0005110 -0.0001170 0.0002390 -0.0003840
7022.0560000 0.0108890 -0.0060760 0.0013170 -0.0002980 0.0005570 -0.0009370
2738.7630000 0.0278590 -0.0157230 0.0034470 -0.0007900 0.0016820 -0.0026480
1135.8140000 0.0678880 -0.0390780 0.0086680 -0.0019570 0.0034900 -0.0060270
495.0923000 0.1468020 -0.0887110 0.0204950 -0.0047250 0.0105120 -0.0162070
224.7487000 0.2556230 -0.1701120 0.0417010 -0.0093680 0.0153920 -0.0279550
105.3836000 0.2984080 -0.2472980 0.0693000 -0.0162500 0.0402770 -0.0593480
50.1935900 0.1745600 -0.1863810 0.0581890 -0.0125490 0.0073940 -0.0278590
22.2495700 0.0696900 0.1584390 -0.0761810 0.0155500 0.0140570 0.0170670
10.9826500 0.1141840 0.5481250 -0.3561380 0.0916910 -0.2936730 0.4205010
5.3836650 0.0840700 0.3885790 -0.3726510 0.0854260 0.0030100 0.2026980
2.3436850 0.0099260 0.0492810 0.2838030 -0.0662500 -0.1758500 -0.4517940
1.1052020 -0.0003160 -0.0043050 0.7149340 -0.2868520 1.5006460 -1.9067910
0.4878480 0.0000590 0.0001110 0.2908760 -0.1703030 -1.1269400 2.8955150
0.0895990 0.0000160 -0.0000270 0.0069090 0.6967260 -1.2270880 -2.2377970
Cr S
0.0334230 1.0000000
Cr S
4.8281000 1.0000000
Cr S
1.1499000 1.0000000
Cr P
14454.2000000 0.0001150 -0.0000400 0.0000090 0.0000120 0.0000250
3421.6760000 0.0005600 -0.0001940 0.0000460 0.0000590 0.0001160
1111.3870000 0.0026530 -0.0009220 0.0002190 0.0002770 0.0006020
425.1918000 0.0106120 -0.0037110 0.0008780 0.0011210 0.0021980
180.2623000 0.0358670 -0.0127060 0.0030300 0.0038200 0.0083680
82.0611700 0.0993240 -0.0361210 0.0085680 0.0109400 0.0212190
39.2972600 0.2135250 -0.0805400 0.0193430 0.0243010 0.0545450
19.4195900 0.3339970 -0.1323120 0.0315600 0.0405940 0.0746730
9.8288990 0.3282920 -0.1340350 0.0330560 0.0407730 0.1147010
5.0168100 0.1505820 0.0347070 -0.0135900 -0.0134400 -0.0783210
2.4870910 0.0200020 0.3356300 -0.0940090 -0.1211060 -0.2465150
1.1987800 -0.0015630 0.4612780 -0.1498470 -0.1827370 -0.6773230
0.5586950 -0.0012910 0.2785730 -0.0657160 -0.1200720 0.7479410
0.2093660 -0.0002120 0.0412210 0.2711740 0.4449520 0.9845060
0.0847220 0.0000240 -0.0038000 0.5750590 0.6413430 -1.0295180
Cr P
0.0332780 1.0000000
Cr P
5.2718000 1.0000000
Cr P
1.2083000 1.0000000
Cr D
89.4745000 0.0036170 -0.0041240 0.0059530
26.3368000 0.0255390 -0.0290980 0.0422270
9.5342900 0.0968340 -0.1143160 0.1730970
3.8211800 0.2351220 -0.2719580 0.3927110
1.5716900 0.3574460 -0.3162730 0.1544870
0.6264220 0.3691600 0.0374570 -0.8070190
0.2330550 0.2380780 0.5894820 0.0009440
Cr D
0.0763030 1.0000000
Cr D
3.4093000 1.0000000
Cr D
1.5874000 1.0000000
Cr F
4.3629000 1.0000000
Cr F
1.5864000 1.0000000
Cr F
0.5231000 1.0000000
Cr G
4.0406000 1.0000000
Cr G
1.4199000 1.0000000
end
basis "Mn_cc-pwCVTZ-DK" SPHERICAL
Mn S
3960805.0000000 0.0001350 -0.0000650 0.0000160 -0.0000040 -0.0000070 -0.0000110
593115.5000000 0.0003950 -0.0001890 0.0000460 -0.0000100 -0.0000210 -0.0000340
134976.8000000 0.0010960 -0.0005250 0.0001280 -0.0000290 -0.0000570 -0.0000930
38230.6700000 0.0028710 -0.0013790 0.0003370 -0.0000750 -0.0001530 -0.0002500
12471.5400000 0.0075540 -0.0036420 0.0008910 -0.0001990 -0.0003900 -0.0006340
4501.7430000 0.0199750 -0.0097110 0.0023910 -0.0005330 -0.0011070 -0.0018190
1755.2120000 0.0515080 -0.0254890 0.0063340 -0.0014130 -0.0027160 -0.0043920
727.3039000 0.1210030 -0.0622590 0.0158660 -0.0035420 -0.0075260 -0.0124300
316.3678000 0.2360360 -0.1322860 0.0352360 -0.0078710 -0.0146430 -0.0235800
143.0098000 0.3264820 -0.2204590 0.0645450 -0.0144660 -0.0324340 -0.0543090
66.2180500 0.2393020 -0.2215130 0.0730570 -0.0164250 -0.0252390 -0.0393500
29.9189600 0.0718200 0.0493360 -0.0257370 0.0057620 -0.0086680 -0.0205440
14.3031800 0.0759500 0.5165030 -0.3026850 0.0712660 0.1951750 0.3531150
6.8394510 0.0750300 0.4900740 -0.4440650 0.1094140 0.1474640 0.2786720
3.0123740 0.0118360 0.0845860 0.1409020 -0.0428130 0.0703750 -0.1195220
1.4188080 -0.0003590 -0.0068570 0.7189900 -0.2293830 -1.0667770 -2.2468870
0.6236240 -0.0000620 -0.0004660 0.3952070 -0.2461200 0.3723110 2.7026690
0.1340980 -0.0000140 -0.0005260 0.0198510 0.3096530 1.9872070 -0.5973580
0.0655480 0.0000260 0.0004990 -0.0077830 0.5658570 -1.2893930 -1.4948730
Mn S
0.0295840 1.0000000
Mn S
4.1714000 1.0000000
Mn S
1.0701000 1.0000000
Mn P
16205.8600000 0.0001180 -0.0000410 -0.0000090 0.0000130 0.0000270
3836.2740000 0.0005550 -0.0001930 -0.0000440 0.0000600 0.0001220
1246.0480000 0.0025910 -0.0009030 -0.0002080 0.0002790 0.0006140
476.7535000 0.0102970 -0.0036140 -0.0008320 0.0011270 0.0022650
202.1895000 0.0348120 -0.0123730 -0.0028570 0.0038180 0.0084770
92.0948700 0.0968140 -0.0353410 -0.0081640 0.0110610 0.0220190
44.1472000 0.2099030 -0.0794990 -0.0184550 0.0245850 0.0557870
21.8546800 0.3319070 -0.1321930 -0.0307730 0.0420330 0.0799210
11.0859600 0.3311790 -0.1356890 -0.0319990 0.0418110 0.1168920
5.6741080 0.1557000 0.0301330 0.0107510 -0.0108470 -0.0685680
2.8231700 0.0209060 0.3310290 0.0908940 -0.1265590 -0.2828210
1.3686210 -0.0028140 0.4567780 0.1379450 -0.1789830 -0.6506830
0.6444310 -0.0021480 0.2859100 0.0761120 -0.1260670 0.7151330
0.2483460 -0.0003790 0.0465830 -0.2313460 0.4203830 0.9592410
0.0971750 0.0000360 -0.0033840 -0.5751700 0.6578380 -0.9371570
Mn P
0.0365650 1.0000000
Mn P
6.0568000 1.0000000
Mn P
1.3911000 1.0000000
Mn D
101.9040000 0.0035750 -0.0036460 0.0058600
30.0337000 0.0255750 -0.0260790 0.0421430
10.9238000 0.0977470 -0.1024550 0.1737480
4.3974000 0.2370560 -0.2488950 0.3964200
1.8159500 0.3579230 -0.3018870 0.1643200
0.7257310 0.3658070 0.0083690 -0.7198750
0.2699610 0.2362960 0.5397650 -0.1641420
Mn D
0.0877600 1.0000000
Mn D
3.9511000 1.0000000
Mn D
1.8488000 1.0000000
Mn F
5.1541000 1.0000000
Mn F
1.9044000 1.0000000
Mn F
0.6438000 1.0000000
Mn G
4.7163000 1.0000000
Mn G
1.7022000 1.0000000
end
basis "Fe_cc-pwCVTZ-DK" SPHERICAL
Fe S
4316265.0000000 0.0001400 -0.0000720 0.0000170 -0.0000040 -0.0000070 -0.0000120
646342.4000000 0.0004050 -0.0002090 0.0000490 -0.0000110 -0.0000210 -0.0000360
147089.7000000 0.0011190 -0.0005790 0.0001350 -0.0000290 -0.0000580 -0.0000990
41661.5200000 0.0029070 -0.0015060 0.0003520 -0.0000770 -0.0001550 -0.0002630
13590.7700000 0.0075710 -0.0039390 0.0009230 -0.0002010 -0.0003930 -0.0006640
4905.7500000 0.0198180 -0.0103960 0.0024520 -0.0005350 -0.0011010 -0.0018690
1912.7460000 0.0507340 -0.0270740 0.0064510 -0.0014080 -0.0026930 -0.0045420
792.6043000 0.1187290 -0.0657770 0.0161060 -0.0035180 -0.0074040 -0.0126010
344.8065000 0.2311640 -0.1390820 0.0357420 -0.0078140 -0.0144840 -0.0244230
155.8999000 0.3193220 -0.2301500 0.0655280 -0.0143720 -0.0318530 -0.0546520
72.2309100 0.2336480 -0.2296630 0.0744300 -0.0163830 -0.0253520 -0.0425410
32.7250600 0.0740220 0.0460910 -0.0257110 0.0056430 -0.0078870 -0.0159890
15.6676200 0.0909520 0.5150510 -0.3086450 0.0712210 0.1914700 0.3459640
7.5034830 0.0888980 0.4871750 -0.4465440 0.1078000 0.1482420 0.3206410
3.3122230 0.0143020 0.0843800 0.1489850 -0.0442620 0.0507610 -0.2021250
1.5584710 -0.0003870 -0.0059110 0.7203950 -0.2259990 -1.0122460 -2.1606730
0.6839140 0.0000080 -0.0000440 0.3896980 -0.2376280 0.3423390 2.6274860
0.1467570 -0.0000250 -0.0004870 0.0191840 0.2977800 1.8572660 -0.4754520
0.0705830 0.0000320 0.0004370 -0.0070230 0.5654970 -1.0636790 -1.5666130
Fe S
0.0314490 1.0000000
Fe S
4.6844000 1.0000000
Fe S
1.2204000 1.0000000
Fe P
17745.6900000 0.0001230 -0.0000430 0.0000090 0.0000140 0.0000300
4200.7210000 0.0005660 -0.0002000 0.0000440 0.0000660 0.0001340
1364.4290000 0.0026080 -0.0009230 0.0002010 0.0003030 0.0006590
522.0806000 0.0102950 -0.0036680 0.0008000 0.0012190 0.0024470
221.4595000 0.0347510 -0.0125390 0.0027380 0.0041200 0.0090140
100.9096000 0.0966900 -0.0358480 0.0078480 0.0119530 0.0238230
48.4011500 0.2100300 -0.0808220 0.0177390 0.0266200 0.0593640
23.9853600 0.3324570 -0.1346970 0.0297490 0.0456990 0.0875800
12.1825000 0.3307710 -0.1369120 0.0303890 0.0450330 0.1222860
6.2422980 0.1547330 0.0337130 -0.0107650 -0.0130110 -0.0681120
3.1109440 0.0209640 0.3356700 -0.0876890 -0.1413750 -0.3519070
1.5099580 -0.0023460 0.4554960 -0.1284700 -0.1941480 -0.6237060
0.7108450 -0.0018540 0.2817600 -0.0739960 -0.1017700 0.8414480
0.2725980 -0.0003170 0.0451500 0.2154550 0.4678640 0.7920700
0.1039720 0.0000300 -0.0031650 0.5720050 0.6242180 -0.9175100
Fe P
0.0381660 1.0000000
Fe P
6.8788000 1.0000000
Fe P
1.5748000 1.0000000
Fe D
114.8840000 0.0035320 -0.0038960 0.0057030
33.8878000 0.0255500 -0.0282070 0.0416910
12.3730000 0.0983570 -0.1115730 0.1720430
4.9992500 0.2379190 -0.2728390 0.4086070
2.0704300 0.3565390 -0.3171520 0.1195250
0.8281830 0.3628480 0.0520620 -0.7660380
0.3075470 0.2388030 0.5612690 -0.0430810
Fe D
0.0994550 1.0000000
Fe D
4.5305000 1.0000000
Fe D
2.1205000 1.0000000
Fe F
6.0066000 1.0000000
Fe F
2.2522000 1.0000000
Fe F
0.7758000 1.0000000
Fe G
5.5068000 1.0000000
Fe G
2.0515000 1.0000000
end
basis "Co_cc-pwCVTZ-DK" SPHERICAL
Co S
4675675.0000000 0.0001460 -0.0000770 0.0000180 -0.0000040 -0.0000070 -0.0000130
700161.5000000 0.0004220 -0.0002220 0.0000520 -0.0000110 -0.0000220 -0.0000390
159337.3000000 0.0011570 -0.0006100 0.0001420 -0.0000300 -0.0000590 -0.0001060
45130.4600000 0.0029820 -0.0015760 0.0003670 -0.0000780 -0.0001550 -0.0002790
14722.3800000 0.0076950 -0.0040850 0.0009540 -0.0002040 -0.0003910 -0.0007010
5314.2220000 0.0199530 -0.0106780 0.0025120 -0.0005360 -0.0010810 -0.0019420
2072.0180000 0.0507170 -0.0276130 0.0065640 -0.0014020 -0.0026380 -0.0047230
858.6188000 0.1182300 -0.0668160 0.0163310 -0.0034900 -0.0071860 -0.0129400
373.5497000 0.2298040 -0.1409790 0.0361860 -0.0077400 -0.0141410 -0.0253430
168.9229000 0.3172830 -0.2329210 0.0663520 -0.0142400 -0.0308010 -0.0558190
78.2963900 0.2323250 -0.2320460 0.0753430 -0.0162270 -0.0250300 -0.0449660
35.5212300 0.0748630 0.0465530 -0.0264870 0.0056920 -0.0064990 -0.0133060
17.0414400 0.0946490 0.5169650 -0.3148050 0.0711360 0.1848310 0.3496310
8.1730000 0.0916250 0.4848400 -0.4467120 0.1054210 0.1464850 0.3478650
3.6103180 0.0146600 0.0832890 0.1601200 -0.0461870 0.0302550 -0.2728950
1.6970470 -0.0004140 -0.0058110 0.7213240 -0.2220020 -0.9422380 -2.0932430
0.7435320 0.0000050 -0.0000540 0.3823570 -0.2286240 0.3006350 2.5711840
0.1583440 -0.0000280 -0.0004680 0.0181880 0.2913320 1.7414180 -0.3869540
0.0750360 0.0000290 0.0003890 -0.0064150 0.5630580 -0.8549780 -1.5896740
Co S
0.0330910 1.0000000
Co S
5.2255000 1.0000000
Co S
1.3638000 1.0000000
Co P
19267.7800000 0.0001300 -0.0000460 -0.0000100 0.0000160 0.0000330
4560.9860000 0.0005820 -0.0002080 -0.0000460 0.0000720 0.0001460
1481.4360000 0.0026480 -0.0009470 -0.0002090 0.0003260 0.0006970
566.8671000 0.0103810 -0.0037380 -0.0008250 0.0012980 0.0026050
240.4910000 0.0349630 -0.0127500 -0.0028170 0.0043920 0.0094500
109.6105000 0.0972290 -0.0364470 -0.0080680 0.0127000 0.0253560
52.5949100 0.2112480 -0.0822350 -0.0182680 0.0284240 0.0621220
26.0836100 0.3338520 -0.1369990 -0.0305860 0.0485330 0.0939380
13.2614300 0.3297510 -0.1371210 -0.0308830 0.0477520 0.1254080
6.7997780 0.1522940 0.0393210 0.0123030 -0.0166520 -0.0692560
3.3934140 0.0202650 0.3412260 0.0904310 -0.1536670 -0.4148930
1.6487660 -0.0022850 0.4536340 0.1308200 -0.2056630 -0.5713060
0.7762820 -0.0018110 0.2761140 0.0692110 -0.0721800 0.9059860
0.2972090 -0.0002960 0.0436650 -0.2248820 0.4831410 0.6871310
0.1133520 0.0000280 -0.0030700 -0.5696560 0.5994720 -0.8901150
Co P
0.0415100 1.0000000
Co P
7.7411000 1.0000000
Co P
1.7672000 1.0000000
Co D
128.3920000 0.0035050 -0.0040650 0.0054720
37.8938000 0.0255830 -0.0297290 0.0404550
13.8798000 0.0990840 -0.1184660 0.1672810
5.6254400 0.2391390 -0.2897200 0.4079820
2.3353900 0.3561510 -0.3203480 0.0937800
0.9351920 0.3604140 0.0856800 -0.7662770
0.3469530 0.2392120 0.5591230 -0.0083060
Co D
0.1117230 1.0000000
Co D
5.1384000 1.0000000
Co D
2.4056000 1.0000000
Co F
6.9240000 1.0000000
Co F
2.6244000 1.0000000
Co F
0.9170000 1.0000000
Co G
6.3248000 1.0000000
Co G
2.4229000 1.0000000
end
basis "Ni_cc-pwCVTZ-DK" SPHERICAL
Ni S
5045991.0000000 0.0001570 -0.0000710 0.0000190 -0.0000040 -0.0000080 -0.0000140
755614.2000000 0.0004530 -0.0002060 0.0000540 -0.0000110 -0.0000230 -0.0000410
171956.8000000 0.0012370 -0.0005620 0.0001480 -0.0000310 -0.0000620 -0.0001120
48704.7900000 0.0031650 -0.0014420 0.0003810 -0.0000810 -0.0001630 -0.0002930
15888.4100000 0.0080950 -0.0037060 0.0009810 -0.0002080 -0.0004080 -0.0007340
5735.1230000 0.0208040 -0.0096110 0.0025590 -0.0005430 -0.0011120 -0.0019960
2236.1370000 0.0525340 -0.0247360 0.0066410 -0.0014080 -0.0027090 -0.0048850
926.6468000 0.1221290 -0.0599030 0.0164600 -0.0034930 -0.0073090 -0.0131080
403.1743000 0.2376390 -0.1273860 0.0364190 -0.0077330 -0.0144650 -0.0262220
182.3476000 0.3303120 -0.2141810 0.0667320 -0.0142230 -0.0311820 -0.0559520
84.5488500 0.2459140 -0.2183240 0.0757390 -0.0161810 -0.0258350 -0.0480980
38.3963400 0.0722760 0.0525980 -0.0275100 0.0058410 -0.0053470 -0.0074570
18.4585900 0.0635120 0.5249320 -0.3190460 0.0715790 0.1860150 0.3403920
8.8635480 0.0618840 0.4880070 -0.4449190 0.1037370 0.1546580 0.3967560
3.9162270 0.0094000 0.0824840 0.1724220 -0.0483150 0.0114970 -0.3814920
1.8388700 -0.0002190 -0.0067950 0.7155720 -0.2193040 -0.9445660 -1.9913800
0.8043620 -0.0000790 -0.0006430 0.3791720 -0.2208170 0.3343100 2.5352790
0.1697970 -0.0000050 -0.0004920 0.0199360 0.2869700 1.6418710 -0.4325800
0.0793060 0.0000030 0.0003540 -0.0074760 0.5599800 -0.7399980 -1.4869520
Ni S
0.0346770 1.0000000
Ni S
5.8330000 1.0000000
Ni S
1.5231000 1.0000000
Ni P
21027.9200000 0.0001350 -0.0000480 0.0000100 0.0000200 0.0000360
4977.5600000 0.0005920 -0.0002120 0.0000430 0.0000880 0.0001550
1616.7400000 0.0026560 -0.0009520 0.0001930 0.0003950 0.0007280
618.6718000 0.0103370 -0.0037330 0.0007600 0.0015560 0.0027250
262.5183000 0.0347520 -0.0127070 0.0025820 0.0052820 0.0097810
119.6907000 0.0967040 -0.0363710 0.0074280 0.0152130 0.0265470
57.4658500 0.2106590 -0.0822820 0.0167980 0.0343730 0.0644440
28.5282900 0.3338280 -0.1376490 0.0283950 0.0584340 0.0994710
14.5214800 0.3302200 -0.1371660 0.0281620 0.0589690 0.1302080
7.4538500 0.1528010 0.0402870 -0.0111460 -0.0229370 -0.0707070
3.7235530 0.0201490 0.3422120 -0.0833490 -0.1978840 -0.4819430
1.8098130 -0.0027090 0.4496570 -0.1160880 -0.2473250 -0.5056470
0.8513360 -0.0021100 0.2777700 -0.0700600 0.0095690 1.0016490
0.3234058 -0.0003520 0.0464150 0.1995030 0.5450030 0.4887760
0.1190210 0.0000360 -0.0029490 0.5660100 0.5235180 -0.8793020
Ni P
0.0421620 1.0000000
Ni P
8.7409000 1.0000000
Ni P
2.0073000 1.0000000
Ni D
142.5904000 0.0033890 -0.0035270 0.0050760
42.1021900 0.0249280 -0.0259470 0.0378570
15.4633700 0.0970560 -0.1036600 0.1549620
6.2838100 0.2338120 -0.2523870 0.3852530
2.6141700 0.3466580 -0.2967270 0.1775600
1.0480200 0.3517990 -0.0005790 -0.6259900
0.3886520 0.2521850 0.4403890 -0.3418510
Ni D
0.1246640 1.0000000
Ni D
5.7767000 1.0000000
Ni D
2.6956000 1.0000000
Ni F
7.9164000 1.0000000
Ni F
3.0235000 1.0000000
Ni F
1.0680000 1.0000000
Ni G
7.3017000 1.0000000
Ni G
2.9284000 1.0000000
end
basis "Cu_cc-pwCVTZ-DK" SPHERICAL
Cu S
5430321.0000000 0.0001580 -0.0000890 0.0000200 -0.0000040 -0.0000080 -0.0000150
813166.5000000 0.0004520 -0.0002550 0.0000570 -0.0000120 -0.0000220 -0.0000440
185054.4000000 0.0012290 -0.0006940 0.0001560 -0.0000320 -0.0000590 -0.0001200
52414.6600000 0.0031200 -0.0017660 0.0003990 -0.0000820 -0.0001520 -0.0003110
17098.6800000 0.0079120 -0.0044980 0.0010190 -0.0002080 -0.0003780 -0.0007720
6171.9940000 0.0201420 -0.0115450 0.0026360 -0.0005390 -0.0010180 -0.0020890
2406.4810000 0.0504620 -0.0294180 0.0067920 -0.0013880 -0.0024730 -0.0050510
997.2584000 0.1166160 -0.0705170 0.0167720 -0.0034300 -0.0066140 -0.0135990
433.9289000 0.2255430 -0.1477880 0.0370240 -0.0075790 -0.0131520 -0.0268750
196.2869000 0.3101520 -0.2423800 0.0678320 -0.0139340 -0.0280830 -0.0581380
91.0428000 0.2261390 -0.2390600 0.0767680 -0.0158250 -0.0236610 -0.0483310
41.3842500 0.0769920 0.0476930 -0.0285880 0.0058910 -0.0036580 -0.0099160
19.9327800 0.1087550 0.5194670 -0.3262330 0.0706480 0.1674510 0.3623720
9.5818910 0.1029690 0.4781070 -0.4451460 0.1003460 0.1378490 0.3778960
4.2345160 0.0162990 0.0805580 0.1815320 -0.0494610 0.0016950 -0.3717270
1.9858140 -0.0005390 -0.0056280 0.7219160 -0.2136180 -0.7988610 -1.9911290
0.8670830 -0.0000020 -0.0000720 0.3686320 -0.2122030 0.2036390 2.4682360
0.1813390 -0.0000380 -0.0004330 0.0163950 0.2812990 1.5496910 -0.2144460
0.0836570 0.0000260 0.0003080 -0.0055260 0.5560680 -0.4950240 -1.6347140
Cu S
0.0362670 1.0000000
Cu S
6.4246000 1.0000000
Cu S
1.6537000 1.0000000
Cu P
22760.5700000 0.0001410 -0.0000510 0.0000100 0.0000190 0.0000390
5387.6790000 0.0006050 -0.0002200 0.0000430 0.0000830 0.0001630
1749.9450000 0.0026840 -0.0009770 0.0001900 0.0003680 0.0007550
669.6653000 0.0103700 -0.0038030 0.0007430 0.0014470 0.0027930
284.1948000 0.0347760 -0.0129160 0.0025150 0.0048660 0.0100480
129.6077000 0.0967260 -0.0369520 0.0072460 0.0141210 0.0271150
62.2541500 0.2108770 -0.0837090 0.0163750 0.0316400 0.0663200
30.9296400 0.3341900 -0.1400770 0.0277810 0.0545670 0.1015580
15.7582700 0.3295570 -0.1384230 0.0271200 0.0530450 0.1351580
8.0942110 0.1519250 0.0434860 -0.0112260 -0.0199460 -0.0778810
4.0469210 0.0205070 0.3460780 -0.0814740 -0.1835090 -0.4991720
1.9678690 -0.0019660 0.4512300 -0.1106180 -0.2173260 -0.4817090
0.9252950 -0.0016310 0.2726370 -0.0686690 -0.0282170 0.9798640
0.3510930 -0.0002570 0.0424640 0.1921350 0.5289300 0.5025340
0.1267990 0.0000250 -0.0027690 0.5631450 0.5575620 -0.8457230
Cu P
0.0441620 1.0000000
Cu P
9.7547000 1.0000000
Cu P
2.2096000 1.0000000
Cu D
177.6850000 0.0027090 -0.0033770 0.0041660
52.5404000 0.0206850 -0.0258190 0.0328750
19.4769000 0.0836260 -0.1072400 0.1373620
8.0014600 0.2129230 -0.2805410 0.3890960
3.3989200 0.3355660 -0.3487320 0.1757660
1.4053800 0.3581080 0.0216090 -0.6834990
0.5453300 0.2664410 0.4916130 -0.2673480
Cu D
0.1881100 1.0000000
Cu D
6.9655000 1.0000000
Cu D
3.3401000 1.0000000
Cu F
9.1618000 1.0000000
Cu F
3.5118000 1.0000000
Cu F
1.2594000 1.0000000
Cu G
8.2715000 1.0000000
Cu G
3.4097000 1.0000000
end
basis "Zn_cc-pwCVTZ-DK" SPHERICAL
Zn S
5820021.0000000 0.0001810 -0.0000570 0.0000220 0.0000040 -0.0000120 0.0000170
871523.4000000 0.0005170 -0.0001630 0.0000620 0.0000130 -0.0000340 0.0000490
198335.0000000 0.0013980 -0.0004420 0.0001680 0.0000340 -0.0000920 0.0001340
56176.3100000 0.0035270 -0.0011190 0.0004250 0.0000860 -0.0002360 0.0003390
18325.8200000 0.0088750 -0.0028350 0.0010750 0.0002180 -0.0005790 0.0008570
6614.9550000 0.0224190 -0.0072510 0.0027590 0.0005590 -0.0015670 0.0022090
2579.1990000 0.0558730 -0.0185310 0.0070580 0.0014290 -0.0037110 0.0056230
1068.8490000 0.1290790 -0.0451410 0.0173590 0.0035270 -0.0101370 0.0139690
465.1045000 0.2514150 -0.0983060 0.0381960 0.0077430 -0.0194410 0.0305880
210.4130000 0.3533410 -0.1733870 0.0698660 0.0143060 -0.0435090 0.0573300
97.6162900 0.2703150 -0.1868340 0.0785690 0.0160020 -0.0328970 0.0639310
44.3802000 0.0652220 0.0652290 -0.0304770 -0.0059930 -0.0116540 -0.0204920
21.4230800 -0.0012330 0.5320160 -0.3364460 -0.0737340 0.2749530 -0.3330400
10.3089100 0.0017950 0.4835280 -0.4468440 -0.0999900 0.1925200 -0.5856710
4.5536450 -0.0008220 0.0815730 0.1925050 0.0503190 -0.0335680 1.0017280
2.1328210 0.0003480 -0.0016950 0.7303950 0.2265840 -1.3737440 1.4209710
0.9296970 -0.0001310 0.0018290 0.3557030 0.2085750 0.8944720 -2.7308990
0.1921470 0.0000440 -0.0003330 0.0116980 -0.3426590 1.6527400 2.1871820
0.0875950 -0.0000340 0.0002590 -0.0051350 -0.5537360 -1.4224370 -0.7685880
Zn S
0.0377020 1.0000000
Zn S
7.1556000 1.0000000
Zn S
1.8229000 1.0000000
Zn P
24411.9800000 0.0001480 -0.0000560 0.0000100 0.0000180 0.0000410
5778.5180000 0.0006240 -0.0002340 0.0000430 0.0000750 0.0001670
1876.8620000 0.0027340 -0.0010300 0.0001900 0.0003250 0.0007710
718.2361000 0.0104840 -0.0039780 0.0007360 0.0012800 0.0028180
304.8327000 0.0350530 -0.0134720 0.0024840 0.0042430 0.0101770
139.0453000 0.0973300 -0.0384660 0.0071540 0.0124460 0.0271970
66.8041700 0.2119030 -0.0870240 0.0161380 0.0274640 0.0671150
33.2069900 0.3346760 -0.1450960 0.0273510 0.0481910 0.1011510
16.9281600 0.3270750 -0.1409790 0.0261260 0.0439460 0.1367580
8.6962290 0.1493830 0.0487290 -0.0120490 -0.0163250 -0.0879950
4.3505100 0.0223870 0.3525240 -0.0803120 -0.1593140 -0.4887840
2.1165230 0.0015560 0.4523900 -0.1062960 -0.1756920 -0.4709370
0.9953870 0.0004640 0.2638190 -0.0655610 -0.0747810 0.9185580
0.3756390 0.0000630 0.0375680 0.1890660 0.4845400 0.5839990
0.1338850 -0.0000010 -0.0024730 0.5603730 0.6147430 -0.8293170
Zn P
0.0460230 1.0000000
Zn P
10.2625000 1.0000000
Zn P
2.3538000 1.0000000
Zn D
210.9473000 0.0023530 0.0032890 0.0037910
62.3915100 0.0183840 0.0258270 0.0316320
23.2648200 0.0762730 0.1099330 0.1315250
9.6233420 0.2008410 0.3017170 0.4230030
4.1394180 0.3289980 0.3873400 0.1330790
1.7440790 0.3618560 -0.0503910 -0.7721180
0.6953250 0.2736090 -0.5385100 -0.1077820
Zn D
0.2487240 1.0000000
Zn D
7.7475000 1.0000000
Zn D
3.9438000 1.0000000
Zn F
10.2593000 1.0000000
Zn F
3.9810000 1.0000000
Zn F
1.4615000 1.0000000
Zn G
9.2476000 1.0000000
Zn G
4.0243000 1.0000000
end
basis "Y_cc-pwCVTZ-DK" SPHERICAL
Y S
125652000.0000000 0.0000380 -0.0000220 0.0000060 -0.0000020 0.0000010 0.0000010 0.0000010
20133700.0000000 0.0000990 -0.0000570 0.0000150 -0.0000050 0.0000010 0.0000020 0.0000040
4277710.0000000 0.0002750 -0.0001590 0.0000420 -0.0000150 0.0000040 0.0000070 0.0000100
1129920.0000000 0.0006340 -0.0003680 0.0000970 -0.0000350 0.0000100 0.0000160 0.0000230
351974.0000000 0.0013810 -0.0008030 0.0002120 -0.0000760 0.0000210 0.0000350 0.0000510
123945.0000000 0.0028690 -0.0016720 0.0004420 -0.0001590 0.0000430 0.0000720 0.0001040
47739.9000000 0.0059230 -0.0034650 0.0009200 -0.0003300 0.0000900 0.0001520 0.0002250
19619.2000000 0.0123320 -0.0072570 0.0019340 -0.0006950 0.0001900 0.0003130 0.0004420
8450.3600000 0.0261600 -0.0155630 0.0041920 -0.0015050 0.0004100 0.0007010 0.0010560
3769.0200000 0.0556820 -0.0337490 0.0092110 -0.0033110 0.0009050 0.0014760 0.0020350
1727.9100000 0.1138630 -0.0716650 0.0201940 -0.0072380 0.0019740 0.0034120 0.0052400
811.0400000 0.2051020 -0.1390300 0.0412260 -0.0148080 0.0040530 0.0065110 0.0087090
389.1110000 0.2814370 -0.2226090 0.0731750 -0.0261900 0.0071420 0.0126710 0.0202960
190.7170000 0.2287340 -0.2338900 0.0874300 -0.0316290 0.0087000 0.0128480 0.0140590
95.4433000 0.0890280 -0.0401650 0.0099990 -0.0034010 0.0008310 0.0055480 0.0191750
48.6821000 0.0824400 0.3553160 -0.2504440 0.0946240 -0.0258900 -0.0530480 -0.1030150
25.2032000 0.1083430 0.5138360 -0.4946370 0.2044610 -0.0573760 -0.0770720 -0.0627500
13.1419000 0.0442950 0.2129770 -0.2142400 0.0856020 -0.0230220 -0.0781360 -0.2157100
6.8166900 0.0108440 0.0360490 0.4939470 -0.2538650 0.0712900 0.1960260 0.4965000
3.4533900 0.0084610 0.0200810 0.6907770 -0.6127890 0.1938920 0.2199610 0.0288990
1.6659100 0.0019320 0.0043340 0.1581590 -0.1264940 0.0312430 0.2714330 0.9537960
0.7900420 -0.0000540 -0.0001540 0.0015260 0.7436770 -0.2852390 -1.0439730 -3.3467460
0.3582790 0.0000200 0.0000270 0.0034050 0.5597720 -0.3947980 -0.2222660 2.7612670
0.0954820 -0.0000120 -0.0000270 -0.0004310 0.0475750 0.1501200 2.6686410 1.3724070
0.0539170 0.0000090 0.0000190 0.0003640 -0.0190500 0.6757620 -1.3420860 -3.9422120
Y S
0.0238090 1.0000000
Y S
1.8502000 1.0000000
Y S
0.4040000 1.0000000
Y P
899731.0000000 0.0000140 -0.0000060 0.0000020 -0.0000010 -0.0000010 -0.0000010
150037.0000000 0.0000530 -0.0000210 0.0000070 -0.0000020 -0.0000040 -0.0000050
34339.3000000 0.0002080 -0.0000840 0.0000280 -0.0000070 -0.0000170 -0.0000200
9996.3200000 0.0007750 -0.0003140 0.0001060 -0.0000280 -0.0000620 -0.0000700
3481.5200000 0.0028250 -0.0011490 0.0003890 -0.0001020 -0.0002350 -0.0002780
1382.5800000 0.0097320 -0.0039830 0.0013490 -0.0003530 -0.0007770 -0.0008700
603.4010000 0.0303590 -0.0126000 0.0042740 -0.0011180 -0.0025980 -0.0031000
281.5920000 0.0828300 -0.0352680 0.0119970 -0.0031360 -0.0068700 -0.0076420
137.7670000 0.1847570 -0.0819870 0.0280270 -0.0073370 -0.0172090 -0.0207720
69.6793000 0.3116770 -0.1459460 0.0502390 -0.0131460 -0.0281710 -0.0304950
36.0696000 0.3427930 -0.1639830 0.0566460 -0.0148640 -0.0376570 -0.0490530
18.9597000 0.1889650 -0.0007890 -0.0063640 0.0018970 0.0126630 0.0273890
10.0434000 0.0357120 0.2968570 -0.1256460 0.0333980 0.0591940 0.0512960
5.3130700 -0.0051850 0.4753820 -0.2231580 0.0606620 0.1749240 0.2533410
2.7721800 -0.0049220 0.2970230 -0.1444230 0.0379810 0.0307070 -0.0539630
1.4017300 -0.0008290 0.0496310 0.2396110 -0.0741550 -0.0601690 -0.0228610
0.6837770 0.0000540 -0.0016450 0.5197150 -0.1789410 -0.8888730 -1.5625650
0.3265150 0.0000940 -0.0031360 0.3711800 -0.1616030 0.3769820 2.3965880
0.1331130 0.0000110 -0.0004470 0.0688960 0.1999360 1.3851310 -0.9263150
0.0565070 0.0000020 -0.0000380 -0.0032160 0.6151410 -0.9603310 -0.9296140
Y P
0.0230720 1.0000000
Y P
2.0513000 1.0000000
Y P
0.6137000 1.0000000
Y D
1692.8100000 0.0001720 -0.0000310 0.0000350 -0.0000420
495.3540000 0.0015040 -0.0002740 0.0003060 -0.0003750
185.7570000 0.0088970 -0.0016290 0.0018110 -0.0022030
80.7331000 0.0349980 -0.0064310 0.0071820 -0.0088120
38.1052000 0.1020330 -0.0189300 0.0210830 -0.0257040
18.7825000 0.2187390 -0.0407270 0.0455820 -0.0560910
9.4512200 0.3241590 -0.0585640 0.0647290 -0.0776040
4.7787300 0.3330020 -0.0555840 0.0610630 -0.0719720
2.3834500 0.1976710 0.0031940 -0.0122660 0.0271310
1.1262500 0.0473440 0.1495820 -0.1866690 0.2803270
0.4918370 0.0020740 0.3059940 -0.3892700 0.5362770
0.2031270 0.0003690 0.3834170 -0.2383360 -0.5530610
0.0806030 -0.0000910 0.3322840 0.4661860 -0.6755560
Y D
0.0303380 1.0000000
Y D
1.0628000 1.0000000
Y D
0.5073000 1.0000000
Y F
1.1743000 1.0000000
Y F
0.4182000 1.0000000
Y F
0.1232000 1.0000000
Y G
0.9633000 1.0000000
Y G
0.2762000 1.0000000
end
basis "Zr_cc-pwCVTZ-DK" SPHERICAL
Zr S
137465000.0000000 0.0000390 -0.0000210 0.0000060 -0.0000020 0.0000010 0.0000010 0.0000020
21983900.0000000 0.0001020 -0.0000560 0.0000150 -0.0000060 0.0000020 0.0000030 0.0000040
4663660.0000000 0.0002830 -0.0001540 0.0000430 -0.0000160 0.0000040 0.0000080 0.0000120
1230450.0000000 0.0006530 -0.0003550 0.0000990 -0.0000370 0.0000100 0.0000180 0.0000270
382971.0000000 0.0014170 -0.0007720 0.0002150 -0.0000800 0.0000220 0.0000390 0.0000580
134784.0000000 0.0029290 -0.0015990 0.0004470 -0.0001660 0.0000460 0.0000810 0.0001180
51894.2000000 0.0060140 -0.0032960 0.0009250 -0.0003430 0.0000940 0.0001710 0.0002540
21319.8000000 0.0124350 -0.0068570 0.0019300 -0.0007160 0.0001970 0.0003470 0.0005000
9179.9200000 0.0261990 -0.0146080 0.0041530 -0.0015380 0.0004230 0.0007770 0.0011710
4092.8100000 0.0554640 -0.0315190 0.0090710 -0.0033620 0.0009270 0.0016050 0.0022820
1875.3900000 0.1132890 -0.0668790 0.0198280 -0.0073280 0.0020180 0.0037570 0.0057400
879.6740000 0.2051980 -0.1304680 0.0405300 -0.0150040 0.0041420 0.0070360 0.0098090
421.7030000 0.2861040 -0.2120310 0.0724480 -0.0267120 0.0073600 0.0141370 0.0222160
206.5130000 0.2401140 -0.2295690 0.0884220 -0.0329150 0.0091190 0.0139740 0.0172170
103.2640000 0.0943790 -0.0480050 0.0150670 -0.0054230 0.0014430 0.0082520 0.0203720
52.6403000 0.0706840 0.3457620 -0.2428610 0.0942620 -0.0261460 -0.0600270 -0.1080960
27.2498000 0.0937670 0.5209040 -0.4974240 0.2112000 -0.0596490 -0.0805800 -0.0846130
14.2193000 0.0396260 0.2244900 -0.2335070 0.0974330 -0.0270770 -0.1032140 -0.2264530
7.3900300 0.0103750 0.0378260 0.4854210 -0.2577540 0.0741240 0.2392630 0.5213300
3.7578500 0.0083670 0.0202080 0.7020170 -0.6437290 0.2051780 0.2188950 0.1380690
1.8239100 0.0019550 0.0043710 0.1631350 -0.1211340 0.0316960 0.3606080 0.8852170
0.8720740 -0.0000590 -0.0001770 0.0016550 0.7660700 -0.3079690 -1.3339990 -3.7091920
0.3965840 0.0000130 -0.0000130 0.0030010 0.5479130 -0.3842290 0.0562250 3.4756970
0.1045330 -0.0000110 -0.0000230 -0.0003620 0.0433770 0.2243790 2.5986730 -0.2666100
0.0556850 0.0000080 0.0000140 0.0002950 -0.0166790 0.6526520 -1.5901640 -2.2712720
Zr S
0.0249620 1.0000000
Zr S
2.1192000 1.0000000
Zr S
0.4888000 1.0000000
Zr P
1026890.0000000 0.0000140 -0.0000060 0.0000020 -0.0000010 -0.0000010 -0.0000010
166325.0000000 0.0000540 -0.0000220 0.0000080 -0.0000020 -0.0000030 -0.0000050
37381.9000000 0.0002110 -0.0000860 0.0000300 -0.0000080 -0.0000120 -0.0000200
10771.6000000 0.0007820 -0.0003200 0.0001130 -0.0000310 -0.0000440 -0.0000730
3733.5900000 0.0028240 -0.0011590 0.0004080 -0.0001120 -0.0001580 -0.0002750
1480.4400000 0.0096440 -0.0039830 0.0014030 -0.0003850 -0.0005440 -0.0009030
646.1670000 0.0299270 -0.0125320 0.0044240 -0.0012160 -0.0017170 -0.0030050
301.6820000 0.0815930 -0.0350530 0.0124070 -0.0034030 -0.0048120 -0.0079310
147.5910000 0.1827890 -0.0818230 0.0291180 -0.0080150 -0.0113090 -0.0199890
74.5800000 0.3108630 -0.1469170 0.0526350 -0.0144450 -0.0204390 -0.0329840
38.5385000 0.3449150 -0.1665300 0.0599290 -0.0165750 -0.0233420 -0.0444290
20.2133000 0.1912910 -0.0019580 -0.0065290 0.0022160 0.0029340 0.0152060
10.6887000 0.0358310 0.3022470 -0.1338850 0.0373230 0.0530020 0.0721590
5.6538700 -0.0055640 0.4800820 -0.2384410 0.0690390 0.0969350 0.2108560
2.9595100 -0.0049940 0.2895230 -0.1409390 0.0378250 0.0553000 0.0289350
1.5093500 -0.0007890 0.0460620 0.2670430 -0.0877260 -0.1263110 -0.1300640
0.7426710 0.0000320 -0.0010090 0.5264040 -0.2031560 -0.2883080 -1.0529780
0.3561060 0.0000840 -0.0026480 0.3500400 -0.1411200 -0.2127200 0.8409110
0.1432030 0.0000050 -0.0002700 0.0607950 0.2623720 0.5617710 1.1121990
0.0613660 0.0000030 -0.0000550 -0.0035120 0.6031610 0.5907190 -1.1576550
Zr P
0.0253800 1.0000000
Zr P
2.2454000 1.0000000
Zr P
0.6616000 1.0000000
Zr D
1873.9800000 0.0001650 -0.0000360 0.0000380 -0.0000510
538.4570000 0.0014760 -0.0003200 0.0003410 -0.0004560
201.3810000 0.0087010 -0.0018890 0.0020070 -0.0027100
87.7228000 0.0342520 -0.0074860 0.0079710 -0.0107010
41.4951000 0.1005890 -0.0221550 0.0235960 -0.0320450
20.4746000 0.2180290 -0.0483830 0.0516520 -0.0694640
10.3147000 0.3259560 -0.0698250 0.0737130 -0.0980730
5.2323700 0.3343750 -0.0662840 0.0681610 -0.0800630
2.6265600 0.1951030 0.0093450 -0.0221710 0.0548690
1.2521400 0.0452140 0.1800330 -0.2243400 0.4033390
0.5665690 0.0018540 0.3375510 -0.4064670 0.4207990
0.2447510 0.0004680 0.3797130 -0.1230570 -0.7613030
0.1007930 -0.0001050 0.2816470 0.5401810 -0.3936520
Zr D
0.0387210 1.0000000
Zr D
1.2836000 1.0000000
Zr D
0.6138000 1.0000000
Zr F
1.4344000 1.0000000
Zr F
0.5562000 1.0000000
Zr F
0.1873000 1.0000000
Zr G
1.2550000 1.0000000
Zr G
0.4157000 1.0000000
end
basis "Nb_cc-pwCVTZ-DK" SPHERICAL
Nb S
148730000.0000000 0.0000410 -0.0000200 0.0000060 -0.0000020 0.0000010 0.0000010 0.0000020
23767800.0000000 0.0001070 -0.0000530 0.0000160 -0.0000060 0.0000020 0.0000030 0.0000050
5046420.0000000 0.0002940 -0.0001460 0.0000440 -0.0000170 0.0000050 0.0000090 0.0000130
1333380.0000000 0.0006750 -0.0003340 0.0001010 -0.0000380 0.0000110 0.0000200 0.0000290
415571.0000000 0.0014590 -0.0007240 0.0002180 -0.0000830 0.0000230 0.0000420 0.0000640
146370.0000000 0.0030020 -0.0014930 0.0004510 -0.0001720 0.0000470 0.0000870 0.0001300
56350.8000000 0.0061330 -0.0030630 0.0009280 -0.0003540 0.0000970 0.0001820 0.0002750
23127.9000000 0.0126210 -0.0063440 0.0019290 -0.0007350 0.0002030 0.0003670 0.0005450
9940.2500000 0.0264740 -0.0134640 0.0041300 -0.0015720 0.0004330 0.0008210 0.0012510
4420.8100000 0.0558980 -0.0289990 0.0089920 -0.0034260 0.0009450 0.0016860 0.0024790
2019.8800000 0.1142690 -0.0616640 0.0196400 -0.0074620 0.0020560 0.0039570 0.0060800
944.6900000 0.2081040 -0.1212130 0.0402340 -0.0153020 0.0042220 0.0073850 0.0107370
451.6810000 0.2936160 -0.1998810 0.0722700 -0.0273680 0.0075480 0.0150090 0.0234840
220.7490000 0.2517500 -0.2214680 0.0891500 -0.0340370 0.0094170 0.0147870 0.0200450
110.2620000 0.0988110 -0.0490010 0.0173520 -0.0064790 0.0017690 0.0096260 0.0199520
56.2091000 0.0565980 0.3425590 -0.2402570 0.0956110 -0.0266170 -0.0641220 -0.1102060
29.1336000 0.0730030 0.5252470 -0.4991280 0.2170360 -0.0612000 -0.0833920 -0.1055590
15.2394000 0.0313210 0.2316160 -0.2448270 0.1058950 -0.0298710 -0.1175960 -0.2244700
7.9473000 0.0093030 0.0391050 0.4815720 -0.2639330 0.0768170 0.2639850 0.5229320
4.0572900 0.0079850 0.0199740 0.7099620 -0.6715680 0.2140280 0.2260250 0.2652400
1.9768800 0.0018860 0.0043170 0.1650660 -0.1085610 0.0285210 0.3977440 0.7120250
0.9521430 -0.0000610 -0.0002310 0.0016990 0.7849520 -0.3245640 -1.4946160 -3.7592960
0.4336490 0.0000100 -0.0000460 0.0027620 0.5342750 -0.3700090 0.2297770 3.7656100
0.1145890 -0.0000100 -0.0000230 -0.0003210 0.0397640 0.2587600 2.4372080 -1.0027180
0.0584420 0.0000070 0.0000130 0.0002510 -0.0144210 0.6441050 -1.5738370 -1.4369880
Nb S
0.0261710 1.0000000
Nb S
2.3674000 1.0000000
Nb S
0.5760000 1.0000000
Nb P
1081950.0000000 0.0000150 -0.0000060 0.0000020 -0.0000010 -0.0000010 -0.0000010
178505.0000000 0.0000550 -0.0000230 0.0000080 -0.0000020 -0.0000030 -0.0000050
40400.2000000 0.0002130 -0.0000880 0.0000320 -0.0000090 -0.0000130 -0.0000210
11646.1000000 0.0007810 -0.0003230 0.0001170 -0.0000320 -0.0000470 -0.0000770
4025.9500000 0.0027980 -0.0011610 0.0004210 -0.0001160 -0.0001710 -0.0002860
1590.7600000 0.0095200 -0.0039790 0.0014440 -0.0003980 -0.0005830 -0.0009390
692.1700000 0.0295350 -0.0125140 0.0045510 -0.0012590 -0.0018480 -0.0031050
322.4500000 0.0806560 -0.0350620 0.0127820 -0.0035260 -0.0051640 -0.0082690
157.5390000 0.1812980 -0.0820970 0.0301060 -0.0083400 -0.0122450 -0.0207510
79.5406000 0.3098780 -0.1482120 0.0547220 -0.0151020 -0.0221060 -0.0348160
41.0712000 0.3460410 -0.1690290 0.0627290 -0.0174760 -0.0257350 -0.0463250
21.5218000 0.1933500 -0.0035330 -0.0065180 0.0023180 0.0035940 0.0147710
11.3695000 0.0364850 0.3067500 -0.1412030 0.0396640 0.0576340 0.0803410
6.0122400 -0.0053490 0.4848860 -0.2524050 0.0740170 0.1096990 0.2209270
3.1533300 -0.0047070 0.2827780 -0.1357600 0.0359800 0.0520880 0.0334430
1.6193400 -0.0007060 0.0428690 0.2922750 -0.0977950 -0.1418920 -0.2002930
0.8011640 0.0000120 -0.0004370 0.5296340 -0.2127080 -0.3298490 -1.0346950
0.3849500 0.0000720 -0.0022680 0.3314770 -0.1204140 -0.1568540 0.9987380
0.1534890 0.0000010 -0.0001410 0.0542130 0.2917430 0.6292060 0.9322770
0.0654720 0.0000030 -0.0000700 -0.0034560 0.5912140 0.5198610 -1.1496270
Nb P
0.0270960 1.0000000
Nb P
2.4940000 1.0000000
Nb P
0.7293000 1.0000000
Nb D
2047.1800000 0.0001570 -0.0000380 0.0000390 -0.0000570
599.8590000 0.0013530 -0.0003270 0.0003390 -0.0004800
224.1360000 0.0081000 -0.0019570 0.0020300 -0.0029260
97.1815000 0.0325480 -0.0079200 0.0082370 -0.0117090
45.9133000 0.0965810 -0.0236740 0.0246380 -0.0358010
22.7242000 0.2118530 -0.0524380 0.0547380 -0.0780390
11.5075000 0.3227170 -0.0771350 0.0794650 -0.1128190
5.8693800 0.3378230 -0.0748630 0.0746190 -0.0870670
2.9685200 0.2005590 0.0085390 -0.0244160 0.0687310
1.4328500 0.0475920 0.1936060 -0.2434820 0.4755960
0.6629510 0.0021660 0.3516780 -0.4058840 0.3420330
0.2940320 0.0004910 0.3741950 -0.0692540 -0.8311780
0.1239340 -0.0001120 0.2573040 0.5462220 -0.2779220
Nb D
0.0483960 1.0000000
Nb D
1.5173000 1.0000000
Nb D
0.7381000 1.0000000
Nb F
1.7043000 1.0000000
Nb F
0.6966000 1.0000000
Nb F
0.2533000 1.0000000
Nb G
1.5560000 1.0000000
Nb G
0.5817000 1.0000000
end
basis "Mo_cc-pwCVTZ-DK" SPHERICAL
Mo S
162227000.0000000 0.0000430 -0.0000170 0.0000060 -0.0000020 0.0000010 0.0000010 0.0000020
25688100.0000000 0.0001130 -0.0000460 0.0000160 -0.0000060 0.0000020 0.0000030 0.0000050
5428430.0000000 0.0003120 -0.0001270 0.0000450 -0.0000180 0.0000050 0.0000090 0.0000140
1432080.0000000 0.0007130 -0.0002900 0.0001040 -0.0000400 0.0000110 0.0000210 0.0000320
446571.0000000 0.0015320 -0.0006250 0.0002230 -0.0000870 0.0000240 0.0000450 0.0000690
157565.0000000 0.0031310 -0.0012800 0.0004580 -0.0001780 0.0000490 0.0000910 0.0001400
60800.4000000 0.0063490 -0.0026090 0.0009350 -0.0003640 0.0000990 0.0001890 0.0002920
25011.8000000 0.0129570 -0.0053630 0.0019260 -0.0007510 0.0002050 0.0003780 0.0005780
10771.0000000 0.0269590 -0.0113070 0.0040900 -0.0015920 0.0004350 0.0008380 0.0013010
4796.8400000 0.0565710 -0.0242550 0.0088380 -0.0034440 0.0009410 0.0017090 0.0026000
2193.2000000 0.1154950 -0.0517120 0.0192220 -0.0074690 0.0020390 0.0039900 0.0062270
1025.7600000 0.2118170 -0.1029860 0.0394110 -0.0153240 0.0041890 0.0074660 0.0112900
490.1640000 0.3050670 -0.1749000 0.0713080 -0.0276010 0.0075440 0.0152260 0.0240220
239.3290000 0.2726880 -0.2038080 0.0899960 -0.0350830 0.0096130 0.0155120 0.0226650
119.4130000 0.1085990 -0.0524740 0.0229770 -0.0088450 0.0024130 0.0107860 0.0198790
60.8193000 0.0311930 0.3315870 -0.2304730 0.0935010 -0.0258250 -0.0632730 -0.1063440
31.5113000 0.0337550 0.5329750 -0.5003740 0.2216680 -0.0619260 -0.0871520 -0.1260250
16.4919000 0.0144760 0.2456630 -0.2664810 0.1190100 -0.0334550 -0.1252170 -0.2195240
8.6161400 0.0066790 0.0418160 0.4671500 -0.2618900 0.0758980 0.2657180 0.4965450
4.4141500 0.0068920 0.0205410 0.7226830 -0.6954170 0.2199000 0.2413300 0.3930060
2.1627000 0.0017280 0.0045370 0.1735690 -0.1131260 0.0297750 0.4142440 0.5776010
1.0461000 -0.0000530 -0.0002940 0.0018230 0.7962080 -0.3303870 -1.5497140 -3.7540260
0.4762780 0.0000120 -0.0001050 0.0025560 0.5331810 -0.3598590 0.2795180 3.8634390
0.1268570 -0.0000100 -0.0000250 -0.0003390 0.0387520 0.2478020 2.3193200 -1.2209960
0.0638610 0.0000060 0.0000120 0.0002540 -0.0137460 0.6410330 -1.4392150 -1.1453990
Mo S
0.0281070 1.0000000
Mo S
2.6873000 1.0000000
Mo S
0.6522000 1.0000000
Mo P
1206380.0000000 0.0000150 -0.0000060 0.0000020 0.0000010 -0.0000010 -0.0000020
200084.0000000 0.0000550 -0.0000230 0.0000080 0.0000020 -0.0000040 -0.0000060
45281.8000000 0.0002070 -0.0000870 0.0000320 0.0000090 -0.0000140 -0.0000220
13010.1000000 0.0007480 -0.0003160 0.0001160 0.0000320 -0.0000490 -0.0000780
4474.9900000 0.0026550 -0.0011260 0.0004140 0.0001130 -0.0001750 -0.0002890
1758.5000000 0.0090060 -0.0038440 0.0014130 0.0003870 -0.0005950 -0.0009480
761.2450000 0.0280320 -0.0121250 0.0044670 0.0012260 -0.0018950 -0.0031370
353.1500000 0.0771040 -0.0341830 0.0126280 0.0034590 -0.0053190 -0.0084320
172.0400000 0.1752570 -0.0808960 0.0300720 0.0082700 -0.0127850 -0.0213280
86.7370000 0.3039310 -0.1480080 0.0554390 0.0151950 -0.0233360 -0.0364610
44.7887000 0.3475700 -0.1740180 0.0656020 0.0181410 -0.0282080 -0.0495890
23.5044000 0.2025980 -0.0169970 -0.0014620 -0.0008960 0.0018820 0.0115670
12.4520000 0.0425910 0.2938150 -0.1396540 -0.0390370 0.0591650 0.0832840
6.6120500 -0.0028980 0.4869490 -0.2601410 -0.0757210 0.1192730 0.2325200
3.4870300 -0.0036770 0.2947520 -0.1484840 -0.0397200 0.0589200 0.0500170
1.8033000 -0.0005880 0.0473630 0.2907740 0.0976010 -0.1483110 -0.2401780
0.8939430 0.0000180 -0.0003780 0.5350980 0.2133040 -0.3626210 -1.0327420
0.4285930 0.0000700 -0.0023640 0.3336620 0.1173450 -0.1214220 1.0666440
0.1701960 0.0000020 -0.0001630 0.0538120 -0.2870540 0.6465160 0.8318460
0.0716650 0.0000020 -0.0000630 -0.0033760 -0.5891390 0.4914620 -1.1222900
Mo P
0.0292390 1.0000000
Mo P
2.8219000 1.0000000
Mo P
0.8168000 1.0000000
Mo D
2176.1800000 0.0001630 -0.0000420 0.0000430 -0.0000640
623.7920000 0.0014450 -0.0003760 0.0003800 -0.0005580
231.7980000 0.0086280 -0.0022460 0.0022850 -0.0033850
100.5040000 0.0344030 -0.0090320 0.0091540 -0.0134850
47.5065000 0.1016110 -0.0268800 0.0274530 -0.0410260
23.5103000 0.2202730 -0.0588460 0.0598630 -0.0885620
11.9078000 0.3299860 -0.0847910 0.0857070 -0.1236640
6.0820200 0.3348450 -0.0784200 0.0730670 -0.0878110
3.0807100 0.1856540 0.0257280 -0.0421480 0.1169900
1.4852500 0.0393380 0.2293670 -0.2892500 0.5726770
0.6892400 0.0014100 0.3725650 -0.3951860 0.1386100
0.3073880 0.0004510 0.3577360 0.0520610 -0.9149480
0.1305320 -0.0000990 0.2187660 0.5781250 0.0060120
Mo D
0.0512460 1.0000000
Mo D
1.6931000 1.0000000
Mo D
0.8182000 1.0000000
Mo F
1.9595000 1.0000000
Mo F
0.8265000 1.0000000
Mo F
0.3136000 1.0000000
Mo G
1.8095000 1.0000000
Mo G
0.7188000 1.0000000
end
basis "Tc_cc-pwCVTZ-DK" SPHERICAL
Tc S
178961000.0000000 0.0000430 -0.0000190 0.0000060 -0.0000030 0.0000010 0.0000010 0.0000020
28148200.0000000 0.0001140 -0.0000490 0.0000170 -0.0000070 0.0000020 0.0000030 0.0000050
5914010.0000000 0.0003140 -0.0001350 0.0000460 -0.0000180 0.0000050 0.0000090 0.0000150
1552760.0000000 0.0007180 -0.0003090 0.0001060 -0.0000420 0.0000110 0.0000220 0.0000330
482395.0000000 0.0015410 -0.0006650 0.0002290 -0.0000910 0.0000240 0.0000470 0.0000720
169737.0000000 0.0031420 -0.0013590 0.0004680 -0.0001850 0.0000500 0.0000950 0.0001460
65376.0000000 0.0063430 -0.0027560 0.0009530 -0.0003770 0.0001010 0.0001960 0.0003030
26865.3000000 0.0128650 -0.0056310 0.0019510 -0.0007720 0.0002070 0.0003890 0.0006030
11564.1000000 0.0265800 -0.0117810 0.0041130 -0.0016260 0.0004350 0.0008580 0.0013250
5150.3200000 0.0553900 -0.0250750 0.0088260 -0.0034910 0.0009350 0.0017310 0.0026850
2355.6900000 0.1125490 -0.0530900 0.0191010 -0.0075330 0.0020160 0.0040390 0.0062370
1102.3400000 0.2063370 -0.1052320 0.0390900 -0.0154220 0.0041320 0.0074900 0.0116520
527.0590000 0.2990520 -0.1783810 0.0709630 -0.0278620 0.0074660 0.0154580 0.0238440
257.4680000 0.2719330 -0.2095460 0.0909350 -0.0359250 0.0096460 0.0157540 0.0248310
128.5040000 0.1126190 -0.0629670 0.0274540 -0.0107650 0.0028900 0.0122800 0.0182700
65.4587000 0.0375590 0.3179020 -0.2234740 0.0918410 -0.0248900 -0.0635560 -0.0979380
33.9144000 0.0437580 0.5332110 -0.5028100 0.2257930 -0.0618080 -0.0871020 -0.1470280
17.7481000 0.0196590 0.2551560 -0.2858970 0.1309140 -0.0362310 -0.1366610 -0.1982040
9.2726700 0.0081340 0.0449990 0.4598010 -0.2642190 0.0754020 0.2761530 0.4388850
4.7523800 0.0081610 0.0227030 0.7330610 -0.7202240 0.2236020 0.2425900 0.5325560
2.3310300 0.0020330 0.0049700 0.1760240 -0.1028710 0.0248900 0.4418520 0.4184560
1.1301700 -0.0000570 -0.0002370 0.0021870 0.8117620 -0.3329940 -1.6460860 -3.6812570
0.5131080 0.0000130 -0.0000920 0.0024930 0.5218420 -0.3418400 0.4232050 3.8999050
0.1304190 -0.0000100 -0.0000180 -0.0002820 0.0351890 0.2850890 2.2050540 -1.5926540
0.0638980 0.0000070 0.0000080 0.0002220 -0.0127690 0.6232290 -1.4702530 -0.6172010
Tc S
0.0284770 1.0000000
Tc S
2.9549000 1.0000000
Tc S
0.7437000 1.0000000
Tc P
1341110.0000000 0.0000150 -0.0000060 0.0000020 -0.0000010 -0.0000010 -0.0000020
223449.0000000 0.0000540 -0.0000230 0.0000090 -0.0000020 -0.0000040 -0.0000060
50289.1000000 0.0002060 -0.0000850 0.0000330 -0.0000090 -0.0000140 -0.0000230
14301.8000000 0.0007400 -0.0003070 0.0001170 -0.0000320 -0.0000510 -0.0000820
4864.9100000 0.0026260 -0.0010940 0.0004190 -0.0001130 -0.0001840 -0.0002990
1893.2600000 0.0089310 -0.0037460 0.0014340 -0.0003850 -0.0006260 -0.0009910
813.7200000 0.0278940 -0.0118550 0.0045490 -0.0012240 -0.0020040 -0.0032650
375.8210000 0.0769050 -0.0335210 0.0128910 -0.0034600 -0.0056270 -0.0088730
182.6910000 0.1751450 -0.0795270 0.0307600 -0.0082870 -0.0135870 -0.0222830
92.0455000 0.3045590 -0.1460930 0.0568800 -0.0152770 -0.0247950 -0.0386770
47.5245000 0.3498630 -0.1725010 0.0675890 -0.0183080 -0.0302750 -0.0517820
24.9323000 0.2044260 -0.0163100 -0.0012950 0.0008390 0.0022220 0.0107390
13.1975000 0.0401360 0.2987230 -0.1455070 0.0399270 0.0637270 0.0937030
7.0011400 -0.0078320 0.4925100 -0.2719500 0.0775620 0.1306480 0.2422200
3.6931800 -0.0064270 0.2883970 -0.1411130 0.0366150 0.0554210 0.0577850
1.9177400 -0.0009580 0.0435590 0.3140090 -0.1039740 -0.1678540 -0.3227350
0.9528720 0.0000480 -0.0007580 0.5364510 -0.2105780 -0.3953770 -1.0029390
0.4573390 0.0001060 -0.0025530 0.3167580 -0.1018400 -0.0513970 1.2167690
0.1805310 0.0000040 -0.0001370 0.0478290 0.2924190 0.6680980 0.6344150
0.0752910 0.0000030 -0.0000690 -0.0030480 0.5825860 0.4465640 -1.0760190
Tc P
0.0304790 1.0000000
Tc P
3.1053000 1.0000000
Tc P
0.8939000 1.0000000
Tc D
2481.8700000 0.0001470 -0.0000400 0.0000400 -0.0000630
697.0580000 0.0013290 -0.0003670 0.0003580 -0.0005610
257.4370000 0.0079720 -0.0022000 0.0021620 -0.0034270
111.6320000 0.0320700 -0.0089220 0.0087300 -0.0137590
52.8611000 0.0959310 -0.0269030 0.0265440 -0.0424820
26.2047000 0.2127570 -0.0603340 0.0593390 -0.0941600
13.2981000 0.3266690 -0.0893810 0.0873960 -0.1349860
6.8185100 0.3388620 -0.0847870 0.0756220 -0.0964510
3.4826200 0.1933480 0.0209990 -0.0335180 0.1169460
1.7064600 0.0433620 0.2292420 -0.2818520 0.6181420
0.8045800 0.0020080 0.3731980 -0.3974720 0.1134760
0.3630130 0.0004560 0.3559500 0.0432450 -0.9378260
0.1545410 -0.0000580 0.2172430 0.5763730 0.0451100
Tc D
0.0602240 1.0000000
Tc D
1.9326000 1.0000000
Tc D
0.9486000 1.0000000
Tc F
2.2152000 1.0000000
Tc F
0.9564000 1.0000000
Tc F
0.3737000 1.0000000
Tc G
2.0514000 1.0000000
Tc G
0.8539000 1.0000000
end
basis "Ru_cc-pwCVTZ-DK" SPHERICAL
Ru S
192708000.0000000 0.0000430 -0.0000220 0.0000070 -0.0000030 0.0000010 0.0000010 0.0000020
30168800.0000000 0.0001140 -0.0000570 0.0000180 -0.0000070 0.0000020 0.0000040 0.0000050
6339070.0000000 0.0003130 -0.0001560 0.0000480 -0.0000190 0.0000050 0.0000100 0.0000150
1668940.0000000 0.0007100 -0.0003550 0.0001100 -0.0000440 0.0000120 0.0000240 0.0000340
520455.0000000 0.0015130 -0.0007580 0.0002340 -0.0000940 0.0000250 0.0000510 0.0000720
183800.0000000 0.0030630 -0.0015390 0.0004760 -0.0001910 0.0000500 0.0001020 0.0001470
70986.5000000 0.0061410 -0.0030990 0.0009620 -0.0003850 0.0001010 0.0002090 0.0002990
29211.0000000 0.0123760 -0.0062850 0.0019580 -0.0007830 0.0002070 0.0004130 0.0005990
12572.0000000 0.0254270 -0.0130610 0.0041060 -0.0016400 0.0004320 0.0009030 0.0012830
5590.3500000 0.0527840 -0.0276330 0.0087800 -0.0035080 0.0009250 0.0018220 0.0026640
2549.9300000 0.1071880 -0.0582250 0.0189830 -0.0075650 0.0019940 0.0042320 0.0059650
1189.0600000 0.1971680 -0.1149260 0.0389780 -0.0155340 0.0040990 0.0079160 0.0117050
566.3840000 0.2875370 -0.1935060 0.0712210 -0.0282560 0.0074550 0.0163240 0.0226950
275.7140000 0.2633660 -0.2260240 0.0925470 -0.0369270 0.0097680 0.0171370 0.0267800
137.2420000 0.1126640 -0.0751900 0.0306350 -0.0121770 0.0032110 0.0133870 0.0143220
69.8096000 0.0551880 0.3072190 -0.2207380 0.0918450 -0.0244990 -0.0661850 -0.0845700
36.1751000 0.0735220 0.5283130 -0.5059410 0.2302230 -0.0621450 -0.0942920 -0.1692620
18.9686000 0.0345760 0.2587270 -0.2986110 0.1396390 -0.0380230 -0.1476670 -0.1546610
9.9474900 0.0113210 0.0479550 0.4492940 -0.2641930 0.0742580 0.2896810 0.3409410
5.1249000 0.0102330 0.0251360 0.7395890 -0.7396320 0.2271880 0.2757290 0.6767680
2.5290800 0.0025890 0.0057370 0.1826020 -0.1040900 0.0232510 0.4451830 0.2555380
1.2282400 -0.0000550 -0.0001660 0.0034490 0.8185660 -0.3313700 -1.7607630 -3.5119980
0.5576660 0.0000190 -0.0000400 0.0029330 0.5210750 -0.3331680 0.5554240 3.7906500
0.1412190 -0.0000110 -0.0000170 -0.0002380 0.0347060 0.2761890 2.0537870 -1.5455260
0.0677970 0.0000070 0.0000090 0.0002020 -0.0119300 0.6217720 -1.3630430 -0.6554390
Ru S
0.0299500 1.0000000
Ru S
3.2904000 1.0000000
Ru S
0.8599000 1.0000000
Ru P
1452000.0000000 0.0000160 -0.0000070 0.0000030 -0.0000010 -0.0000010 -0.0000020
242440.0000000 0.0000550 -0.0000230 0.0000090 -0.0000020 -0.0000040 -0.0000060
54514.6000000 0.0002070 -0.0000870 0.0000340 -0.0000090 -0.0000160 -0.0000240
15468.7000000 0.0007370 -0.0003110 0.0001210 -0.0000310 -0.0000560 -0.0000860
5248.3500000 0.0025880 -0.0010960 0.0004250 -0.0001090 -0.0001990 -0.0003100
2037.6900000 0.0087400 -0.0037280 0.0014470 -0.0003710 -0.0006690 -0.0010280
874.0680000 0.0272330 -0.0117680 0.0045760 -0.0011790 -0.0021410 -0.0033530
403.0030000 0.0752290 -0.0333290 0.0129940 -0.0033370 -0.0060000 -0.0092050
195.5710000 0.1724010 -0.0795170 0.0311910 -0.0080470 -0.0146490 -0.0230360
98.3394000 0.3026450 -0.1474680 0.0582600 -0.0149740 -0.0268340 -0.0409390
50.6490000 0.3516500 -0.1762520 0.0701040 -0.0181950 -0.0335550 -0.0542620
26.4932000 0.2078440 -0.0196990 -0.0003640 0.0006240 0.0026000 0.0090420
13.9803000 0.0417110 0.3033190 -0.1519670 0.0399400 0.0699410 0.1061360
7.3979000 -0.0064740 0.4980940 -0.2839930 0.0778640 0.1473520 0.2503260
3.9002600 -0.0054520 0.2815930 -0.1329090 0.0321270 0.0507380 0.0712790
2.0320700 -0.0007630 0.0404230 0.3370420 -0.1072560 -0.1932550 -0.4298390
1.0086100 0.0000240 -0.0003950 0.5386410 -0.2039290 -0.4491210 -0.9502270
0.4819550 0.0000870 -0.0022270 0.2994580 -0.0832740 0.0579430 1.4174230
0.1850400 -0.0000010 -0.0000530 0.0409390 0.3000320 0.7129020 0.3255950
0.0762420 0.0000030 -0.0000720 -0.0031450 0.5736740 0.3585830 -1.0012110
Ru P
0.0306540 1.0000000
Ru P
3.4601000 1.0000000
Ru P
0.9728000 1.0000000
Ru D
2542.3500000 0.0001550 -0.0000450 0.0000440 -0.0000680
743.0080000 0.0012990 -0.0003750 0.0003680 -0.0005600
276.9520000 0.0077890 -0.0022530 0.0022170 -0.0034280
119.6690000 0.0319190 -0.0093050 0.0091350 -0.0139950
56.3448000 0.0967720 -0.0284640 0.0281380 -0.0439260
27.8568000 0.2147630 -0.0638600 0.0630960 -0.0976020
14.1591000 0.3281110 -0.0941660 0.0920460 -0.1382830
7.2956800 0.3375300 -0.0878080 0.0779820 -0.0910010
3.7509000 0.1893340 0.0272670 -0.0415170 0.1225150
1.8552600 0.0417930 0.2411360 -0.3024460 0.6496760
0.8820590 0.0021340 0.3760150 -0.3908460 0.0300890
0.4006220 0.0005090 0.3479190 0.0893140 -0.9156450
0.1713310 0.0000170 0.2077240 0.5664890 0.0780680
Ru D
0.0668650 1.0000000
Ru D
2.1520000 1.0000000
Ru D
1.0637000 1.0000000
Ru F
2.4761000 1.0000000
Ru F
1.0946000 1.0000000
Ru F
0.4386000 1.0000000
Ru G
2.3080000 1.0000000
Ru G
1.0050000 1.0000000
end
basis "Rh_cc-pwCVTZ-DK" SPHERICAL
Rh S
213061000.0000000 0.0000410 -0.0000260 0.0000070 -0.0000030 0.0000010 0.0000010 0.0000020
33108100.0000000 0.0001100 -0.0000680 0.0000180 -0.0000070 0.0000020 0.0000040 0.0000050
6913440.0000000 0.0003010 -0.0001870 0.0000490 -0.0000200 0.0000050 0.0000110 0.0000150
1810980.0000000 0.0006840 -0.0004250 0.0001130 -0.0000450 0.0000120 0.0000240 0.0000340
562527.0000000 0.0014550 -0.0009060 0.0002400 -0.0000970 0.0000250 0.0000520 0.0000730
198074.0000000 0.0029370 -0.0018340 0.0004870 -0.0001970 0.0000510 0.0001050 0.0001480
76340.6000000 0.0058650 -0.0036760 0.0009810 -0.0003960 0.0001020 0.0002140 0.0002980
31371.2000000 0.0117520 -0.0074080 0.0019860 -0.0008020 0.0002080 0.0004220 0.0006000
13490.6000000 0.0239790 -0.0152700 0.0041370 -0.0016680 0.0004320 0.0009110 0.0012610
5996.1200000 0.0494270 -0.0320130 0.0087900 -0.0035450 0.0009180 0.0018440 0.0026480
2734.3600000 0.0997830 -0.0667870 0.0189150 -0.0076080 0.0019690 0.0042110 0.0057740
1274.8500000 0.1829520 -0.1304240 0.0387700 -0.0155920 0.0040410 0.0079840 0.0116230
607.1210000 0.2665460 -0.2165740 0.0710510 -0.0284530 0.0073700 0.0161860 0.0217940
295.4460000 0.2442990 -0.2499370 0.0935170 -0.0376360 0.0097800 0.0178910 0.0277530
146.9910000 0.1089850 -0.0927970 0.0345320 -0.0138950 0.0035900 0.0131830 0.0124740
74.7215000 0.0817500 0.2900700 -0.2152480 0.0904650 -0.0236740 -0.0626660 -0.0746090
38.6938000 0.1214490 0.5194750 -0.5084960 0.2336940 -0.0620100 -0.1015000 -0.1821660
20.2775000 0.0595890 0.2618590 -0.3143880 0.1499740 -0.0400480 -0.1418450 -0.1293220
10.6314000 0.0166220 0.0497270 0.4448340 -0.2678420 0.0739010 0.2716340 0.2791770
5.4796100 0.0135140 0.0264760 0.7468470 -0.7601190 0.2301930 0.3220610 0.7646760
2.7083200 0.0033440 0.0059780 0.1836460 -0.0926090 0.0170700 0.3821780 0.1366130
1.3188500 -0.0000500 -0.0000730 0.0040760 0.8262530 -0.3280960 -1.7098630 -3.3264750
0.6001000 0.0000260 -0.0000110 0.0030130 0.5128390 -0.3218680 0.5355740 3.5716640
0.1559670 -0.0000120 -0.0000100 -0.0001950 0.0339050 0.2411940 1.8982110 -1.0829530
0.0744570 0.0000070 0.0000050 0.0001740 -0.0105950 0.6189110 -1.0618010 -1.1848310
Rh S
0.0322560 1.0000000
Rh S
3.6466000 1.0000000
Rh S
0.9693000 1.0000000
Rh P
1586690.0000000 0.0000160 -0.0000070 0.0000030 -0.0000010 -0.0000010 -0.0000020
267081.0000000 0.0000550 -0.0000240 0.0000090 -0.0000020 -0.0000040 -0.0000070
60148.6000000 0.0002050 -0.0000870 0.0000340 -0.0000090 -0.0000170 -0.0000250
17023.4000000 0.0007190 -0.0003070 0.0001210 -0.0000320 -0.0000580 -0.0000880
5748.1500000 0.0025060 -0.0010740 0.0004220 -0.0001110 -0.0002060 -0.0003100
2219.3800000 0.0084360 -0.0036410 0.0014320 -0.0003750 -0.0006920 -0.0010360
947.0230000 0.0263400 -0.0115130 0.0045390 -0.0011920 -0.0022160 -0.0033490
434.7980000 0.0731120 -0.0327470 0.0129400 -0.0033900 -0.0062500 -0.0093580
210.4080000 0.1687330 -0.0786590 0.0312870 -0.0082320 -0.0153280 -0.0232300
105.6630000 0.2988080 -0.1470790 0.0589230 -0.0154520 -0.0284180 -0.0424770
54.4289000 0.3522800 -0.1789620 0.0722720 -0.0191290 -0.0360050 -0.0555120
28.5070000 0.2139170 -0.0282530 0.0031760 -0.0003080 0.0007390 0.0040330
15.0732000 0.0456750 0.2951900 -0.1513070 0.0406730 0.0737870 0.1140780
7.9939600 -0.0055150 0.5009450 -0.2918580 0.0815780 0.1567930 0.2471390
4.2223900 -0.0051750 0.2883620 -0.1385420 0.0348050 0.0600870 0.1068440
2.2020000 -0.0007540 0.0422210 0.3418460 -0.1120900 -0.2175560 -0.5122660
1.0946600 0.0000190 -0.0001020 0.5397560 -0.2104010 -0.4730350 -0.8892670
0.5241370 0.0000800 -0.0021210 0.2966600 -0.0819680 0.1035350 1.4465490
0.2041700 -0.0000010 -0.0000250 0.0408550 0.3056700 0.7017780 0.2479960
0.0842270 0.0000030 -0.0000780 -0.0027560 0.5729850 0.3464260 -0.9632110
Rh P
0.0337970 1.0000000
Rh P
3.8728000 1.0000000
Rh P
1.0751000 1.0000000
Rh D
2792.9700000 0.0001480 -0.0000440 0.0000450 -0.0000660
802.4110000 0.0012730 -0.0003830 0.0003860 -0.0005640
296.3820000 0.0077100 -0.0023210 0.0023570 -0.0034690
127.7060000 0.0316940 -0.0096160 0.0097350 -0.0142960
60.1914000 0.0960960 -0.0294330 0.0300490 -0.0446570
29.8287000 0.2138980 -0.0662430 0.0675750 -0.1006180
15.1894000 0.3292350 -0.0985040 0.0991900 -0.1407410
7.8338600 0.3391930 -0.0913240 0.0820690 -0.0900030
4.0347000 0.1871580 0.0328620 -0.0522600 0.1367850
2.0068000 0.0403970 0.2523970 -0.3346050 0.6761930
0.9589780 0.0022420 0.3790570 -0.3769710 -0.0619930
0.4378690 0.0005540 0.3402040 0.1428500 -0.9061800
0.1884020 0.0000850 0.1979080 0.5594820 0.1541380
Rh D
0.0739060 1.0000000
Rh D
2.3801000 1.0000000
Rh D
1.1832000 1.0000000
Rh F
2.7443000 1.0000000
Rh F
1.2406000 1.0000000
Rh F
0.5080000 1.0000000
Rh G
2.5565000 1.0000000
Rh G
1.1557000 1.0000000
end
basis "Pd_cc-pwCVTZ-DK" SPHERICAL
Pd S
231969000.0000000 0.0000380 -0.0000310 0.0000070 -0.0000030 0.0000010 0.0000010 0.0000020
35874000.0000000 0.0001010 -0.0000840 0.0000190 -0.0000080 0.0000020 0.0000040 0.0000060
7478510.0000000 0.0002770 -0.0002290 0.0000510 -0.0000210 0.0000050 0.0000110 0.0000160
1959210.0000000 0.0006270 -0.0005200 0.0001150 -0.0000470 0.0000120 0.0000240 0.0000350
609102.0000000 0.0013270 -0.0011030 0.0002450 -0.0001000 0.0000250 0.0000510 0.0000750
214666.0000000 0.0026660 -0.0022200 0.0004940 -0.0002010 0.0000510 0.0001030 0.0001510
82772.4000000 0.0052950 -0.0044240 0.0009900 -0.0004030 0.0001020 0.0002090 0.0003030
34005.0000000 0.0105500 -0.0088620 0.0019940 -0.0008110 0.0002060 0.0004110 0.0006090
14607.5000000 0.0213990 -0.0181430 0.0041330 -0.0016800 0.0004260 0.0008800 0.0012660
6480.7700000 0.0438700 -0.0377710 0.0087440 -0.0035550 0.0009030 0.0017780 0.0026640
2948.3800000 0.0881890 -0.0782330 0.0187720 -0.0076130 0.0019330 0.0040400 0.0057520
1370.9700000 0.1612280 -0.1515500 0.0385280 -0.0156200 0.0039720 0.0076940 0.0117020
651.1640000 0.2336970 -0.2484170 0.0709410 -0.0286400 0.0072770 0.0156030 0.0217740
316.1400000 0.2112000 -0.2821950 0.0945880 -0.0383650 0.0097830 0.0176250 0.0286790
157.0170000 0.0981310 -0.1138920 0.0379940 -0.0154230 0.0039080 0.0133050 0.0126960
79.7486000 0.1177200 0.2668050 -0.2101840 0.0890860 -0.0228670 -0.0591740 -0.0711980
41.3024000 0.1899080 0.4972710 -0.5097240 0.2364510 -0.0615870 -0.0994380 -0.1893120
21.6692000 0.0967030 0.2581180 -0.3292160 0.1594410 -0.0417860 -0.1403710 -0.1263150
11.3839000 0.0244730 0.0500270 0.4337730 -0.2656280 0.0719530 0.2582880 0.2556980
5.8823900 0.0181770 0.0264220 0.7551420 -0.7776520 0.2314620 0.3199000 0.8089060
2.9146900 0.0045120 0.0060790 0.1893900 -0.0921080 0.0153060 0.3668280 0.1081360
1.4182000 -0.0000340 -0.0000090 0.0046220 0.8341870 -0.3249280 -1.6365500 -3.2497450
0.6431560 0.0000380 0.0000170 0.0031330 0.5096530 -0.3116880 0.5083560 3.3999180
0.1621260 -0.0000120 -0.0000070 -0.0001840 0.0323300 0.2542590 1.7709410 -0.8439920
0.0757470 0.0000080 0.0000040 0.0001700 -0.0101750 0.6130390 -0.8830610 -1.3578290
Pd S
0.0328330 1.0000000
Pd S
3.9787000 1.0000000
Pd S
1.0676000 1.0000000
Pd P
1789180.0000000 0.0000160 -0.0000070 0.0000030 -0.0000010 -0.0000010 -0.0000020
299329.0000000 0.0000550 -0.0000240 0.0000090 -0.0000020 -0.0000050 -0.0000070
66902.0000000 0.0002010 -0.0000870 0.0000340 -0.0000080 -0.0000170 -0.0000250
18783.6000000 0.0007020 -0.0003030 0.0001200 -0.0000290 -0.0000610 -0.0000880
6293.7500000 0.0024310 -0.0010540 0.0004190 -0.0001010 -0.0002120 -0.0003100
2413.2000000 0.0081640 -0.0035630 0.0014180 -0.0003430 -0.0007110 -0.0010370
1023.6400000 0.0255500 -0.0112890 0.0045040 -0.0010910 -0.0022860 -0.0033390
467.7130000 0.0713070 -0.0322750 0.0129120 -0.0031190 -0.0064660 -0.0094370
225.4890000 0.1658860 -0.0781140 0.0314570 -0.0076350 -0.0160240 -0.0234360
112.9220000 0.2965360 -0.1474240 0.0598250 -0.0144670 -0.0298970 -0.0436950
58.0528000 0.3536860 -0.1817680 0.0743730 -0.0181630 -0.0386350 -0.0570030
30.3656000 0.2181360 -0.0333360 0.0052590 -0.0007540 0.0001520 0.0013980
16.0450000 0.0479290 0.2940170 -0.1540920 0.0381890 0.0777120 0.1211760
8.5088900 -0.0047840 0.5046260 -0.3005170 0.0778260 0.1689660 0.2485120
4.4978300 -0.0047910 0.2878520 -0.1366150 0.0306690 0.0607940 0.1276570
2.3502500 -0.0006970 0.0416890 0.3543360 -0.1073350 -0.2409540 -0.5961590
1.1661100 0.0000100 0.0001300 0.5418340 -0.1913910 -0.5057780 -0.8149230
0.5548970 0.0000700 -0.0019180 0.2883550 -0.0731510 0.1936520 1.5239800
0.2085100 -0.0000020 0.0000030 0.0365610 0.2904240 0.7150110 0.0450920
0.0843150 0.0000030 -0.0000710 -0.0031140 0.5689310 0.2874470 -0.8914620
Pd P
0.0331870 1.0000000
Pd P
4.2754000 1.0000000
Pd P
1.1644000 1.0000000
Pd D
2997.7400000 0.0001490 -0.0000460 0.0000480 -0.0000680
844.3660000 0.0013050 -0.0004060 0.0004230 -0.0005980
311.0270000 0.0078450 -0.0024450 0.0025630 -0.0036080
134.3580000 0.0320110 -0.0100510 0.0105060 -0.0149140
63.4728000 0.0970150 -0.0307790 0.0324630 -0.0461640
31.4809000 0.2161310 -0.0692950 0.0730710 -0.1056720
16.0390000 0.3321270 -0.1029380 0.1066220 -0.1426130
8.2870200 0.3383070 -0.0931070 0.0845210 -0.0885790
4.2820600 0.1815710 0.0412880 -0.0679160 0.1635420
2.1441800 0.0380030 0.2637390 -0.3669810 0.6958060
1.0309300 0.0022880 0.3806010 -0.3563970 -0.1681640
0.4734790 0.0005860 0.3321510 0.1955400 -0.8831910
0.2050020 0.0001450 0.1880590 0.5516610 0.2342950
Pd D
0.0809930 1.0000000
Pd D
2.6155000 1.0000000
Pd D
1.3080000 1.0000000
Pd F
3.0198000 1.0000000
Pd F
1.3920000 1.0000000
Pd F
0.5809000 1.0000000
Pd G
2.8084000 1.0000000
Pd G
1.3187000 1.0000000
end
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