/usr/share/nwchem/libraries/cc-pv5z-pp is in nwchem-data 6.6+r27746-2.
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# Elements References
# -------- ----------
# Ga-As,In-Sb, Tl-Bi : K.A. Peterson, J. Chem. Phys. 119, 11099 (2003).
# Se-Kr, Te-Xe, Po-Rn : K.A. Peterson, D. Figgen, E. Goll, H. Stoll, and
# M. Dolg, J. Chem. Phys. 119, 11113 (2003).
# Cu, Zn, Pd, Ag, Au, Hg: K.A. Peterson and C. Puzzarini, Theor. Chem. Acc., 114, 283 (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).
# I : K. A. Peterson, B. C. Shepler, D. Figgen, H. Stoll, On the spectroscopic and thermochemical properties of ClO, BrO, IO, and their anions, Journal of Physical Chemistry A 110, 13877 (2006).
# Hf Ta W Re Os Ir Pt: D. Figgen, K.A. Peterson, M. Dolg, and H. Stoll, Energy-consistent pseudopotentials and correlation consistent basis sets for the 5d elements Hf-Pt, Journal of Chemical Physics 130, 164108 (2009).
#
basis "Cu_cc-pV5Z-PP" SPHERICAL
Cu S
47481.0000000 0.0000040 -0.0000010 0.0000020 -0.0000040 0.0000060 0.0000120
7116.8600000 0.0000270 -0.0000060 0.0000120 -0.0000260 0.0000300 -0.0000070
1608.2800000 0.0001340 -0.0000260 0.0000700 -0.0001680 0.0002800 0.0007130
444.8410000 0.0004460 -0.0000940 0.0001910 -0.0003630 0.0002810 -0.0013330
97.8090000 0.0043380 -0.0007680 0.0025150 -0.0067690 0.0141060 0.0577270
60.8618000 -0.0247350 0.0045070 -0.0127600 0.0314750 -0.0586810 -0.2075630
37.8932000 0.0783710 -0.0150800 0.0384230 -0.0904520 0.1506420 0.3758020
12.3039000 -0.2809410 0.0597320 -0.1646870 0.4526940 -0.9168870 -2.2488930
7.6956800 -0.1933320 0.0367670 -0.0554710 0.0221290 0.3762410 2.5377980
3.1305800 0.4088360 -0.0959590 0.2653210 -1.0866650 2.9881220 2.9919750
1.6195400 0.5916440 -0.1600320 0.5666590 -0.9286330 -2.8563780 -7.9348760
0.7971120 0.2635430 -0.1554120 -0.0879790 2.0446460 -0.8763030 6.7561770
0.2678080 0.0198730 -0.0152390 -1.0200250 0.7991380 3.8452490 -2.7589860
0.1479860 -0.0066020 0.3122670 -0.3611740 -1.9130430 -2.3033270 -1.2012820
0.0687380 0.0021730 0.5241750 0.2794740 -0.2062770 -1.4120390 3.4725690
Cu S
0.0315880 1.0000000
Cu P
994.7840000 0.0000460 0.0000100 -0.0000210 -0.0000530 0.0001360 0.0004850
233.5740000 0.0003230 0.0000670 -0.0001440 -0.0003200 0.0000840 -0.0017800
49.3355000 0.0077770 0.0016740 -0.0035890 -0.0085840 0.0193530 0.0628640
24.6221000 -0.0302250 -0.0068760 0.0156100 0.0436110 -0.1195270 -0.3991150
14.5861000 -0.0680470 -0.0135580 0.0277930 0.0541100 0.0061250 0.3897740
5.1492900 0.2180790 0.0520640 -0.1247310 -0.4003720 0.9456850 2.1154930
2.7642700 0.3918760 0.0904900 -0.2039560 -0.4965730 0.2440170 -3.0279620
1.4435900 0.3528230 0.0965080 -0.1616050 0.0947320 -1.5726390 0.2861890
0.7290250 0.1640360 0.0163080 0.1087170 0.9615560 0.0798670 2.0889350
0.3154570 0.0236590 -0.1903600 0.4919850 0.2341110 1.5081190 -1.7381410
0.1420260 -0.0008270 -0.4128340 0.4531510 -0.7235870 -0.7601700 0.1087960
0.0637270 0.0009510 -0.4154670 0.0980950 -0.1789090 -0.3501020 0.6313500
Cu P
0.0282380 1.0000000
Cu D
573.2950000 0.0001120 -0.0001410 0.0001670 -0.0002350 -0.0003870
173.7710000 0.0011780 -0.0014910 0.0018140 -0.0027710 -0.0029480
68.3868000 0.0080990 -0.0102980 0.0124100 -0.0181450 -0.0271430
31.9759000 0.0320690 -0.0410320 0.0503820 -0.0773770 -0.0903680
15.4418000 0.0843040 -0.1110920 0.1409140 -0.2272860 -0.4052580
7.7849700 0.1679020 -0.2249840 0.2992030 -0.5059800 -0.4721840
3.9745900 0.2452750 -0.2847560 0.2379310 0.1897810 1.4078920
2.0118300 0.2766790 -0.1384660 -0.2807740 0.9638390 -0.1982090
0.9966730 0.2550870 0.1781060 -0.5675590 -0.2840360 -1.4144590
0.4783830 0.1937240 0.3882270 -0.0797420 -0.8477920 1.1732430
0.2191490 0.1088390 0.3421100 0.5364410 0.3362200 0.1886550
Cu D
0.0926120 1.0000000
Cu F
10.9910000 1.0000000
Cu F
3.9175000 1.0000000
Cu F
1.3964000 1.0000000
Cu F
0.4977000 1.0000000
Cu G
8.9630000 1.0000000
Cu G
3.1442000 1.0000000
Cu G
1.1030000 1.0000000
Cu H
6.5459000 1.0000000
Cu H
2.0847000 1.0000000
Cu I
4.9263000 1.0000000
end
basis "Zn_cc-pV5Z-PP" SPHERICAL
Zn S
50419.8000000 0.0000030 -0.0000010 -0.0000030 -0.0000040 0.0000080 0.0000170
8013.0500000 0.0000230 -0.0000060 -0.0000160 -0.0000250 0.0000250 -0.0000390
1864.4100000 0.0001120 -0.0000260 -0.0000960 -0.0001590 0.0003430 0.0009160
516.8830000 0.0003830 -0.0000930 -0.0002400 -0.0003690 0.0001080 -0.0022000
110.7390000 0.0039760 -0.0008300 -0.0039270 -0.0063760 0.0198600 0.0782790
68.5920000 -0.0230070 0.0049010 0.0194170 0.0304960 -0.0794470 -0.2744010
42.7231000 0.0717560 -0.0160050 -0.0562510 -0.0910560 0.1888710 0.4636130
12.8754000 -0.3065280 0.0760090 0.3060970 0.6132990 -1.5400620 -3.6889700
8.0517500 -0.1667500 0.0344540 0.0228080 -0.1276210 1.3001280 5.8729060
3.3821000 0.4203140 -0.1110350 -0.5195240 -1.5796900 3.6828310 -1.8608770
1.7453000 0.6007590 -0.2007290 -0.8639280 -0.2799730 -6.0614780 -3.9473360
0.8572140 0.2489510 -0.1768110 0.6649260 2.5541640 2.5776780 6.7565010
0.2807370 0.0138190 0.0851150 1.4803430 -1.0952430 2.9314390 -9.1897180
0.1549350 -0.0044900 0.4034450 -0.4416580 -1.2948510 -4.5441800 8.3971990
0.0717090 0.0012540 0.5114480 -0.5650320 1.0200980 1.6667680 -2.4279460
Zn S
0.0327990 1.0000000
Zn P
1172.3600000 0.0000370 -0.0000080 -0.0000150 0.0000460 0.0001280 -0.0004970
276.3820000 0.0002580 -0.0000500 -0.0000930 0.0002220 -0.0000810 0.0022090
57.8057000 0.0070210 -0.0014730 -0.0028550 0.0082730 0.0192510 -0.0669790
30.5032000 -0.0239010 0.0052210 0.0105360 -0.0347590 -0.0908240 0.3166910
16.1822000 -0.0733240 0.0142920 0.0264820 -0.0627710 -0.0266290 -0.2842230
5.5670600 0.2236650 -0.0513650 -0.1069190 0.4119930 0.9279990 -2.0485230
2.9888300 0.3968750 -0.0873340 -0.1724900 0.4684490 0.2501550 2.7506110
1.5613900 0.3536010 -0.0928550 -0.1495920 -0.0597750 -1.4807320 0.0688920
0.7880740 0.1533350 -0.0160040 0.0523850 -0.9337340 -0.0649640 -2.2656820
0.3402420 0.0187970 0.1818650 0.4568830 -0.3208820 1.5719090 1.6860730
0.1525990 -0.0004710 0.4048920 0.5063440 0.7113880 -0.7383820 0.0068520
0.0678110 0.0006920 0.4236760 0.1148650 0.1858950 -0.3691900 -0.6912180
Zn P
0.0296610 1.0000000
Zn D
711.3310000 0.0000920 0.0001270 0.0001410 0.0001650 -0.0002720
215.9730000 0.0009620 0.0013370 0.0015490 0.0021010 -0.0025010
85.1094000 0.0065710 0.0092050 0.0104550 0.0129370 -0.0197970
39.8164000 0.0280230 0.0394400 0.0459910 0.0618650 -0.0786830
19.4372000 0.0745890 0.1080670 0.1290630 0.1725820 -0.3036580
9.8713900 0.1546060 0.2315870 0.3058050 0.4627300 -0.6107360
5.0968200 0.2383640 0.3176520 0.2663160 -0.0296170 1.1190580
2.6187300 0.2815350 0.1682570 -0.3407180 -0.9453840 0.4422770
1.3210700 0.2662440 -0.1969900 -0.5632060 0.0721040 -1.7152170
0.6482480 0.1976310 -0.4125860 -0.0364510 1.0067700 0.8711110
0.3048130 0.1001960 -0.3046730 0.5568570 -0.2852740 0.6507680
Zn D
0.1327280 1.0000000
Zn F
12.3345000 1.0000000
Zn F
4.4340000 1.0000000
Zn F
1.5940000 1.0000000
Zn F
0.5730000 1.0000000
Zn G
10.1826000 1.0000000
Zn G
3.6072000 1.0000000
Zn G
1.2779000 1.0000000
Zn H
7.5136000 1.0000000
Zn H
2.4171000 1.0000000
Zn I
5.6635000 1.0000000
end
basis "Ga_cc-pV5Z-PP" SPHERICAL
Ga S
58304.0000000 0.0000090 -0.0000030
8750.1100000 0.0000690 -0.0000190
1993.7400000 0.0003380 -0.0000940
561.2110000 0.0011640 -0.0003310
169.4830000 0.0027600 -0.0007420
50.6343000 -0.0303200 0.0073540
31.6278000 0.2101440 -0.0549410
19.7559000 -0.2745810 0.0759350
10.8801000 -0.2901780 0.0785670
3.3657300 0.4639660 -0.1497330
1.7863900 0.5555760 -0.2330010
Ga S
0.9248560 1.0000000
Ga S
0.3850520 1.0000000
Ga S
0.1974380 1.0000000
Ga S
0.0933400 1.0000000
Ga S
0.0430420 1.0000000
Ga P
1291.8500000 0.0000370 -0.0000070
304.5330000 0.0002530 -0.0000420
65.1240000 0.0063340 -0.0011840
35.0808000 -0.0190810 0.0037260
17.7836000 -0.0784410 0.0133950
5.9599400 0.2364080 -0.0471750
3.1648700 0.4114670 -0.0777900
1.6385500 0.3513880 -0.0824390
0.3407900 0.0115480 0.1724180
Ga P
0.8190480 1.0000000
Ga P
0.1498120 1.0000000
Ga P
0.0653020 1.0000000
Ga P
0.0281860 1.0000000
Ga D
937.3970000 0.0000670
284.0210000 0.0007100
111.6010000 0.0049490
51.9844000 0.0230450
25.4991000 0.0624300
12.9757000 0.1369690
6.7328000 0.2246600
3.4882900 0.2830560
1.7778100 0.2811840
Ga D
0.8829960 1.0000000
Ga D
0.4202770 1.0000000
Ga D
0.1821750 1.0000000
Ga D
0.0736000 1.0000000
Ga F
0.6129000 1.0000000
Ga F
0.2939000 1.0000000
Ga F
0.1409000 1.0000000
Ga G
0.6164000 1.0000000
Ga G
0.2816000 1.0000000
Ga H
0.5141000 1.0000000
end
basis "Ge_cc-pV5Z-PP" SPHERICAL
Ge S
66248.0000000 0.0000130 -0.0000040
9994.2400000 0.0000960 -0.0000310
2275.1400000 0.0004790 -0.0001500
640.9510000 0.0016720 -0.0005380
200.2860000 0.0038160 -0.0011750
52.5937000 -0.0220560 0.0053550
32.8540000 0.2046500 -0.0584210
20.5236000 -0.3135580 0.0952160
10.8875000 -0.2593200 0.0794140
4.2006100 0.3017940 -0.1077830
2.3710500 0.5832880 -0.2460700
Ge S
1.2386500 1.0000000
Ge S
0.5524950 1.0000000
Ge S
0.2893670 1.0000000
Ge S
0.1325360 1.0000000
Ge S
0.0593990 1.0000000
Ge P
1379.4800000 0.0000430 -0.0000100
323.5350000 0.0003080 -0.0000650
72.2644000 0.0053190 -0.0011690
31.3340000 -0.0284140 0.0065810
17.8983000 -0.0723920 0.0149130
6.9115000 0.1980710 -0.0486600
3.7806700 0.3949700 -0.0913690
1.9881000 0.3764380 -0.1059250
0.4405050 0.0162550 0.1890840
Ge P
1.0090500 1.0000000
Ge P
0.2018100 1.0000000
Ge P
0.0906810 1.0000000
Ge P
0.0397480 1.0000000
Ge D
1096.4900000 0.0000590
332.6520000 0.0006190
130.5390000 0.0042520
60.0855000 0.0209790
29.8203000 0.0582370
15.2103000 0.1322000
7.9346100 0.2229070
4.1299300 0.2862040
2.1216500 0.2869280
Ge D
1.0673300 1.0000000
Ge D
0.5149340 1.0000000
Ge D
0.2231600 1.0000000
Ge D
0.0924000 1.0000000
Ge F
0.6771000 1.0000000
Ge F
0.3347000 1.0000000
Ge F
0.1655000 1.0000000
Ge G
0.6998000 1.0000000
Ge G
0.3220000 1.0000000
Ge H
0.5966000 1.0000000
end
basis "As_cc-pV5Z-PP" SPHERICAL
As S
72721.4000000 0.0000190 -0.0000070
10918.7000000 0.0001470 -0.0000520
2483.4900000 0.0007310 -0.0002550
700.2830000 0.0025770 -0.0009160
220.8660000 0.0059010 -0.0020490
54.8624000 -0.0108950 0.0017590
34.2712000 0.1886140 -0.0572190
21.4122000 -0.3326000 0.1090260
11.2090000 -0.2236930 0.0748120
4.7090300 0.2724230 -0.1041800
2.6280200 0.5951570 -0.2835790
As S
1.3773000 1.0000000
As S
0.6196870 1.0000000
As S
0.3352220 1.0000000
As S
0.1581240 1.0000000
As S
0.0723260 1.0000000
As P
1376.8400000 0.0000550 -0.0000140
323.2210000 0.0003900 -0.0000960
72.9045000 0.0061360 -0.0015110
29.8358000 -0.0401290 0.0105460
18.6028000 -0.0646780 0.0146470
7.4792200 0.2043790 -0.0568210
4.0732700 0.4029820 -0.1074180
2.1574200 0.3717230 -0.1217970
0.5100210 0.0151230 0.2250800
As P
1.1145700 1.0000000
As P
0.2397330 1.0000000
As P
0.1105710 1.0000000
As P
0.0496000 1.0000000
As D
1074.5600000 0.0000780
326.2130000 0.0008150
128.4700000 0.0054910
59.3916000 0.0262340
29.7136000 0.0694970
15.2633000 0.1468480
8.0362600 0.2345940
4.2458500 0.2883830
2.2284000 0.2762330
As D
1.1499100 1.0000000
As D
0.5673150 1.0000000
As D
0.2468120 1.0000000
As D
0.1045000 1.0000000
As F
0.7690000 1.0000000
As F
0.3928000 1.0000000
As F
0.2007000 1.0000000
As G
0.8060000 1.0000000
As G
0.3781000 1.0000000
As H
0.6931000 1.0000000
end
basis "Se_cc-pV5Z-PP" SPHERICAL
Se S
190762.0000000 0.0000100 -0.0000040
28502.4000000 0.0000750 -0.0000290
6487.7600000 0.0003850 -0.0001460
1840.1800000 0.0014970 -0.0005970
601.0370000 0.0044470 -0.0016690
211.4850000 0.0088430 -0.0036550
35.5896000 0.1716000 -0.0612610
22.2449000 -0.3405180 0.1275120
11.1029000 -0.2268530 0.0736870
5.9155000 0.2167760 -0.0771650
3.0479900 0.6356320 -0.3336460
Se S
1.5481700 1.0000000
Se S
0.6147930 1.0000000
Se S
0.3623130 1.0000000
Se S
0.1775170 1.0000000
Se S
0.0822260 1.0000000
Se P
1292.4900000 0.0000790 -0.0000220
305.0160000 0.0005380 -0.0001440
71.1563000 0.0080750 -0.0022050
33.5594000 -0.0334140 0.0098950
20.9795000 -0.0709290 0.0174690
7.9404900 0.2144980 -0.0656190
4.3150100 0.4146170 -0.1221080
2.2857700 0.3654030 -0.1357460
0.5601650 0.0120500 0.2708900
Se P
1.1863400 1.0000000
Se P
0.2639050 1.0000000
Se P
0.1215710 1.0000000
Se P
0.0544860 1.0000000
Se D
1240.4300000 0.0000690
376.7540000 0.0007240
148.2780000 0.0048330
67.9348000 0.0239000
34.3765000 0.0661480
17.7066000 0.1405730
9.3670100 0.2302450
4.9782200 0.2893090
2.6317300 0.2813860
Se D
1.3692200 1.0000000
Se D
0.6788170 1.0000000
Se D
0.2918180 1.0000000
Se D
0.1234000 1.0000000
Se F
0.8441000 1.0000000
Se F
0.4238000 1.0000000
Se F
0.2128000 1.0000000
Se G
0.8608000 1.0000000
Se G
0.3864000 1.0000000
Se H
0.7361000 1.0000000
end
basis "Br_cc-pV5Z-PP" SPHERICAL
Br S
200938.0000000 0.0000090 -0.0000030
29988.8000000 0.0000670 -0.0000280
6825.5600000 0.0003470 -0.0001380
1940.5200000 0.0013380 -0.0005560
635.8020000 0.0039120 -0.0015320
224.4040000 0.0075260 -0.0032430
37.6333000 0.1644060 -0.0617910
23.5218000 -0.3355150 0.1335230
11.8595000 -0.2547660 0.0836960
7.4061100 0.1758060 -0.0573700
3.5814200 0.6294170 -0.3378010
Br S
1.8335600 1.0000000
Br S
0.8030160 1.0000000
Br S
0.4622600 1.0000000
Br S
0.2196120 1.0000000
Br S
0.0997550 1.0000000
Br P
1328.6400000 0.0000980 -0.0000290
312.5360000 0.0006740 -0.0001930
74.1900000 0.0089480 -0.0026800
37.6058000 -0.0249850 0.0083940
23.5026000 -0.0763880 0.0202870
8.4691300 0.2141130 -0.0716790
4.7068700 0.4033530 -0.1279330
2.5568200 0.3631400 -0.1481780
0.6468200 0.0142540 0.2854460
Br P
1.3564700 1.0000000
Br P
0.3078880 1.0000000
Br P
0.1425070 1.0000000
Br P
0.0637020 1.0000000
Br D
1441.5800000 0.0000600
437.6910000 0.0006250
172.1530000 0.0041530
78.2124000 0.0210120
39.6082000 0.0628140
20.3440000 0.1358290
10.7392000 0.2291320
5.7077300 0.2936930
3.0219400 0.2863460
Br D
1.5766900 1.0000000
Br D
0.7844110 1.0000000
Br D
0.3352350 1.0000000
Br D
0.1425000 1.0000000
Br F
0.9583000 1.0000000
Br F
0.4974000 1.0000000
Br F
0.2582000 1.0000000
Br G
0.9721000 1.0000000
Br G
0.4390000 1.0000000
Br H
0.8318000 1.0000000
end
basis "Kr_cc-pV5Z-PP" SPHERICAL
Kr S
196415.0000000 0.0000140 -0.0000060
29445.8000000 0.0001120 -0.0000500
6706.7600000 0.0005750 -0.0002510
1900.0100000 0.0022320 -0.0009970
617.9210000 0.0064930 -0.0028200
216.8900000 0.0120480 -0.0055380
41.4616000 0.1443110 -0.0600470
25.9128000 -0.2218010 0.1056650
16.1924000 -0.2604670 0.0798320
10.1151210 0.0080320 0.0095470
4.4572100 0.5683340 -0.2980890
Kr S
2.2989000 1.0000000
Kr S
1.1120300 1.0000000
Kr S
0.5849580 1.0000000
Kr S
0.2695400 1.0000000
Kr S
0.1200660 1.0000000
Kr P
1353.1000000 0.0001210 -0.0000380
318.3800000 0.0008350 -0.0002530
76.7397000 0.0100060 -0.0032220
41.2326000 -0.0194120 0.0073950
25.7712000 -0.0816420 0.0228610
9.1185400 0.2117770 -0.0758410
5.1337800 0.4008980 -0.1351730
2.8200200 0.3644850 -0.1593780
0.7289460 0.0143150 0.3032220
Kr P
1.5102200 1.0000000
Kr P
0.3497230 1.0000000
Kr P
0.1630940 1.0000000
Kr P
0.0732740 1.0000000
Kr D
1611.8500000 0.0000560
489.2450000 0.0005850
192.5350000 0.0038560
87.2980000 0.0194460
44.2590000 0.0613320
22.8320000 0.1327370
12.0741000 0.2273220
6.4274800 0.2958740
3.4104800 0.2902060
Kr D
1.7856000 1.0000000
Kr D
0.8905060 1.0000000
Kr D
0.3778270 1.0000000
Kr D
0.1613000 1.0000000
Kr F
1.0893000 1.0000000
Kr F
0.5909000 1.0000000
Kr F
0.3205000 1.0000000
Kr G
1.1008000 1.0000000
Kr G
0.5006000 1.0000000
Kr H
0.9459000 1.0000000
end
basis "Y_cc-pV5Z-PP" SPHERICAL
Y S
14079.8000000 0.0000020 -0.0000010 -0.0000010 -0.0000020 0.0000010 0.0000010
2247.3800000 0.0000120 -0.0000040 -0.0000060 -0.0000070 0.0000200 -0.0000700
520.2370000 0.0000550 -0.0000170 -0.0000390 -0.0000750 -0.0000040 0.0002120
150.8110000 0.0001820 -0.0000630 -0.0000800 -0.0000600 0.0004190 -0.0016450
24.5030000 0.0063950 -0.0018670 -0.0044970 -0.0088600 -0.0035840 0.0374170
15.2418000 -0.0507640 0.0154110 0.0316780 0.0549640 -0.0088590 -0.0982160
9.5008400 0.1584540 -0.0501630 -0.0959870 -0.1555790 0.0927170 -0.0147960
3.8237200 -0.3025540 0.1063820 0.2168610 0.3733420 -0.2082400 0.1024510
2.2758600 -0.3335140 0.1060530 0.1488480 0.1832600 -0.7040030 2.4700340
1.0644100 0.3230000 -0.1261720 -0.1548790 -0.2559760 1.5832420 -10.3553030
0.5855490 0.6589720 -0.2894070 -0.9680620 -2.6856670 2.2439820 13.7413150
0.3053020 0.3425110 -0.2983620 -0.1326710 3.1169230 -6.5232510 -7.1906790
0.1209720 0.0313300 0.0703960 1.9311600 1.4891180 7.7285540 -1.6873260
0.0663880 -0.0056260 0.5421300 0.0584030 -3.8710430 -4.0430630 7.1160260
0.0328380 0.0038640 0.5063430 -1.0476370 1.1354790 -1.8182600 -7.0095890
Y S
0.0163780 1.0000000
Y P
77.9108000 0.0001380 -0.0000440 -0.0000870 -0.0001350 -0.0003270 -0.0001010
13.7037000 -0.0025430 0.0007800 0.0013570 0.0025540 0.0107320 -0.0058350
8.5560000 0.0399220 -0.0125610 -0.0263010 -0.0373320 -0.0873380 -0.0550890
5.3433500 -0.0836390 0.0277150 0.0568510 0.0849530 0.1815290 0.1703450
3.1309600 -0.1096760 0.0321010 0.0832770 0.0909480 0.1439620 0.4395670
1.2481300 0.2329360 -0.0822140 -0.1786520 -0.2654300 -0.8796010 -4.2725720
0.7057070 0.4155860 -0.1470040 -0.5462370 -1.0981110 -1.5966240 6.2343020
0.3920400 0.3493680 -0.1728880 -0.3616030 0.8351060 4.8613140 -2.0751110
0.2128650 0.1423730 -0.0159480 1.1540840 1.7852520 -3.4449480 -3.4656920
0.1070420 0.0206040 0.3279480 0.6563890 -2.0517060 -0.7351070 5.9121840
0.0543460 0.0016540 0.5086540 -0.8183480 -0.3318250 2.8678810 -4.7865070
0.0277480 0.0004450 0.2731240 -0.3749600 1.0846930 -1.6056420 1.7266830
Y P
0.0142710 1.0000000
Y D
45.4024000 0.0001200 -0.0001510 0.0001950 -0.0001840 -0.0003570
12.9334000 0.0010990 -0.0012580 0.0016130 -0.0030890 -0.0039810
4.8006500 -0.0068000 0.0078620 -0.0101290 0.0194310 0.0278630
1.8593400 0.0303570 -0.0402620 0.0537820 -0.0954860 -0.1590440
1.1169700 0.0992990 -0.1228420 0.1808020 -0.3003170 -0.8147140
0.6437090 0.1802560 -0.2289480 0.3422230 -0.6932980 -0.0017590
0.3523490 0.2459700 -0.2879670 0.2506190 0.7279550 2.1872360
0.1853680 0.2811180 -0.1377670 -0.5086550 1.0036120 -2.0397820
0.0931220 0.2667400 0.2766650 -0.6756680 -1.1469290 -0.0556930
0.0445400 0.1692660 0.5148560 0.4144900 -0.2917490 1.4099920
Y D
0.0200680 1.0000000
Y F
1.6458000 1.0000000
Y F
0.5735000 1.0000000
Y F
0.1999000 1.0000000
Y F
0.0697000 1.0000000
Y G
0.9326000 1.0000000
Y G
0.3358000 1.0000000
Y G
0.1209000 1.0000000
Y H
0.6710000 1.0000000
Y H
0.2242000 1.0000000
Y I
0.3993000 1.0000000
end
basis "Zr_cc-pV5Z-PP" SPHERICAL
Zr S
15437.5000000 0.0000020 -0.0000010 -0.0000010 -0.0000020 0.0000010 -0.0000020
2465.9700000 0.0000130 -0.0000040 -0.0000070 -0.0000100 0.0000320 -0.0000490
578.6510000 0.0000590 -0.0000190 -0.0000450 -0.0000750 -0.0000380 0.0000270
162.7350000 0.0001980 -0.0000700 -0.0001000 -0.0001300 0.0007060 -0.0010470
26.5335000 0.0066440 -0.0019840 -0.0050430 -0.0083810 -0.0109030 0.0122540
16.5704000 -0.0525730 0.0162570 0.0355610 0.0560560 0.0125820 0.0035430
10.3303000 0.1634440 -0.0526420 -0.1078700 -0.1678690 0.0829970 -0.1902040
4.1481000 -0.3059450 0.1103950 0.2427640 0.4051870 -0.1789480 0.6083250
2.5161300 -0.3490550 0.1116980 0.1748460 0.2797260 -1.1538930 1.8067300
1.1659700 0.3455410 -0.1375420 -0.2103000 -0.6336340 3.5607120 -11.0626930
0.6451250 0.6639130 -0.3040570 -1.1293430 -2.5875580 -0.7683280 17.0783340
0.3370100 0.3281410 -0.2837350 0.0990480 3.7335630 -4.8187130 -11.8732290
0.1365970 0.0293880 0.0962260 1.9494820 0.3891840 8.1060540 4.0836260
0.0726290 -0.0041590 0.5363000 -0.1464570 -3.2884940 -5.8703430 1.6705390
0.0358930 0.0032740 0.4913850 -0.9659600 1.4132350 0.0251120 -4.4656650
Zr S
0.0178820 1.0000000
Zr P
86.6065000 0.0001400 -0.0000440 -0.0000620 -0.0001100 -0.0001910 0.0002860
15.1555000 -0.0027860 0.0008580 0.0011810 0.0020370 0.0042620 -0.0058940
9.4658000 0.0414510 -0.0129840 -0.0181900 -0.0330270 -0.0558950 0.0919740
5.9125200 -0.0844130 0.0279860 0.0389740 0.0709340 0.1186240 -0.2208550
3.4533700 -0.1174270 0.0338730 0.0490940 0.0977790 0.1709420 -0.2793470
1.3761100 0.2476830 -0.0874800 -0.1251510 -0.2496370 -0.6916810 2.7044810
0.7768660 0.4294190 -0.1562140 -0.2201010 -0.6860450 -1.3598380 -2.1500230
0.4273720 0.3444380 -0.1592300 -0.2475300 -0.1064010 2.7069520 -2.6396310
0.2277060 0.1265660 0.0235440 0.0930910 1.4075580 -0.0578670 5.5738310
0.1153640 0.0157100 0.3088570 0.5777970 0.1883270 -2.2241640 -4.0538370
0.0594000 0.0020970 0.4574650 0.4254600 -0.8765300 1.0666880 0.7783170
0.0308990 0.0000650 0.3009240 0.0751780 -0.2006530 0.3815510 0.5650840
Zr P
0.0158570 1.0000000
Zr D
49.5067000 0.0001540 -0.0001900 0.0002770 -0.0003420 0.0006720
13.9303000 0.0014270 -0.0015510 0.0021470 -0.0034860 0.0040810
5.2603900 -0.0095780 0.0106460 -0.0149450 0.0250340 -0.0349770
2.0331900 0.0419560 -0.0542150 0.0922390 -0.1574730 0.2975460
1.2191700 0.1254610 -0.1539970 0.2523180 -0.4752710 1.1675020
0.7111020 0.2125620 -0.2639730 0.3886540 -0.4707610 -1.3250430
0.3899280 0.2823830 -0.2811660 0.0101690 1.2586620 -1.1404310
0.2023760 0.2859490 0.0220550 -0.7329550 0.2702640 2.5067660
0.1018700 0.2155050 0.4048750 -0.3380690 -1.2589810 -1.3125060
0.0503430 0.1051110 0.4290200 0.5765170 0.2159450 -0.4784940
Zr D
0.0237770 1.0000000
Zr F
2.3842000 1.0000000
Zr F
0.8475000 1.0000000
Zr F
0.3013000 1.0000000
Zr F
0.1071000 1.0000000
Zr G
1.2410000 1.0000000
Zr G
0.4615000 1.0000000
Zr G
0.1716000 1.0000000
Zr H
0.9257000 1.0000000
Zr H
0.3118000 1.0000000
Zr I
0.5877000 1.0000000
end
basis "Nb_cc-pV5Z-PP" SPHERICAL
Nb S
16724.4000000 0.0000020 -0.0000010 -0.0000010 -0.0000020 0.0000010 0.0000050
2802.5700000 0.0000130 -0.0000050 -0.0000080 -0.0000130 0.0000370 0.0000240
620.6060000 0.0000690 -0.0000230 -0.0000520 -0.0000860 -0.0000340 0.0001970
169.9940000 0.0002180 -0.0000770 -0.0001220 -0.0001830 0.0008940 0.0003220
28.9091000 0.0066770 -0.0020080 -0.0050290 -0.0081350 -0.0133320 0.0193240
17.9890000 -0.0524340 0.0163130 0.0359710 0.0565980 0.0173350 -0.1272330
11.0810000 0.1685240 -0.0546570 -0.1144670 -0.1814640 0.0954540 0.4126080
4.5084100 -0.3071400 0.1123230 0.2525740 0.4395510 -0.1928160 -1.3351400
2.7740400 -0.3656480 0.1171300 0.2025510 0.3370230 -1.4302220 -0.6681470
1.2785800 0.3577500 -0.1444410 -0.2624260 -0.9136540 4.9562710 10.4666180
0.7104820 0.6677810 -0.3105620 -1.1754450 -2.3968250 -3.0055020 -18.0167040
0.3712440 0.3219880 -0.2723990 0.1947830 3.9390540 -3.3620400 14.2476880
0.1537620 0.0288090 0.1005350 1.8814740 -0.1056110 7.7844360 -7.4149890
0.0799430 -0.0032060 0.5285960 -0.1487580 -2.9373520 -6.4326700 1.6768070
0.0390490 0.0028630 0.4926760 -0.9365280 1.4465500 1.0110800 2.5528660
Nb S
0.0192340 1.0000000
Nb P
94.5740000 0.0001420 -0.0000460 -0.0000660 -0.0001150 -0.0001840 0.0002510
16.5451000 -0.0031230 0.0009760 0.0013990 0.0023020 0.0040050 -0.0043200
10.3353000 0.0437240 -0.0139150 -0.0202860 -0.0357330 -0.0585500 0.0899560
6.4556800 -0.0866590 0.0292850 0.0423910 0.0752340 0.1213400 -0.2212470
3.7818500 -0.1242440 0.0364390 0.0552160 0.1080190 0.2110750 -0.3110130
1.5100900 0.2599500 -0.0941250 -0.1407040 -0.2970280 -0.9360120 3.0553130
0.8529130 0.4352490 -0.1629130 -0.2444300 -0.6997760 -1.0533120 -3.0340750
0.4705510 0.3351180 -0.1532280 -0.2446420 0.0090570 2.7306070 -1.7190450
0.2525070 0.1215810 0.0361760 0.1472680 1.3704750 -0.3402500 5.1664290
0.1277120 0.0157470 0.3110250 0.5842200 0.1113480 -2.0389740 -4.1195420
0.0654580 0.0016820 0.4523680 0.3942580 -0.8573660 1.0662180 0.9937460
0.0337640 0.0001400 0.2988230 0.0651680 -0.1922890 0.3529060 0.4670990
Nb P
0.0171550 1.0000000
Nb D
112.0840000 0.0000420 -0.0000420 0.0000570 -0.0000690 0.0002360
33.7714000 0.0003440 -0.0004380 0.0007230 -0.0010950 0.0007700
12.4751000 0.0022140 -0.0022120 0.0029330 -0.0038530 0.0109920
6.3293900 -0.0097510 0.0103000 -0.0146300 0.0215400 -0.0489550
2.0214400 0.0761190 -0.0981300 0.1827690 -0.3290370 0.9087510
1.1232800 0.2035310 -0.2489670 0.4323530 -0.7370970 0.2465580
0.5991810 0.2930090 -0.3295230 0.2343910 0.7345520 -2.4626810
0.3098940 0.3059440 -0.0858720 -0.6322730 0.9807020 2.3616380
0.1547090 0.2411420 0.3473660 -0.5550090 -1.2603090 -0.3014160
0.0740910 0.1253140 0.4902950 0.4840240 -0.1615170 -1.1843040
Nb D
0.0332330 1.0000000
Nb F
3.1744000 1.0000000
Nb F
1.1392000 1.0000000
Nb F
0.4088000 1.0000000
Nb F
0.1467000 1.0000000
Nb G
1.5463000 1.0000000
Nb G
0.5931000 1.0000000
Nb G
0.2275000 1.0000000
Nb H
1.1829000 1.0000000
Nb H
0.4022000 1.0000000
Nb I
0.7952000 1.0000000
end
basis "Mo_cc-pV5Z-PP" SPHERICAL
Mo S
17946.3000000 0.0000020 -0.0000010 -0.0000010 -0.0000020 0.0000010 0.0000120
3312.2700000 0.0000140 -0.0000050 -0.0000090 -0.0000150 0.0000370 -0.0000230
681.6260000 0.0000780 -0.0000260 -0.0000580 -0.0000920 -0.0000010 0.0006300
180.1620000 0.0002490 -0.0000870 -0.0001500 -0.0002730 0.0009570 -0.0014220
30.6673000 0.0071150 -0.0021310 -0.0051900 -0.0074740 -0.0129690 0.0933800
19.1509000 -0.0564880 0.0174860 0.0383330 0.0579880 0.0115460 -0.4224160
11.8941000 0.1781580 -0.0574820 -0.1211750 -0.1932500 0.1192690 0.9137280
4.8981400 -0.3068990 0.1123150 0.2519100 0.4439590 -0.1981710 -2.7770120
3.0488500 -0.3822290 0.1215130 0.2282270 0.4359270 -1.6808410 1.4805520
1.3981700 0.3634910 -0.1474560 -0.2895420 -1.2061380 6.1767120 8.7304160
0.7820320 0.6697260 -0.3094610 -1.1954110 -2.1672290 -5.0128880 -17.4963080
0.4090740 0.3223120 -0.2639230 0.2458690 3.9971280 -1.8552510 15.3033290
0.1705450 0.0289300 0.0952130 1.7947840 -0.3767490 7.0831250 -9.6104950
0.0879630 -0.0031730 0.5127540 -0.0900170 -2.6529470 -6.3689880 4.1565130
0.0426100 0.0025270 0.5003880 -0.9123270 1.3496510 1.3848040 0.9517470
Mo S
0.0208110 1.0000000
Mo P
102.2090000 0.0001490 -0.0000480 -0.0000730 -0.0001230 -0.0001910 -0.0005380
18.0149000 -0.0033980 0.0010590 0.0015950 0.0024130 0.0034760 0.0166440
11.2538000 0.0452000 -0.0143500 -0.0220460 -0.0377930 -0.0594480 -0.1479290
7.0300000 -0.0862460 0.0291870 0.0445480 0.0773360 0.1202930 0.3297030
4.1583100 -0.1309050 0.0383440 0.0614870 0.1215660 0.2507130 0.2785650
1.6481100 0.2680230 -0.0974270 -0.1553960 -0.3489250 -1.1954440 -3.7475860
0.9379610 0.4347230 -0.1625480 -0.2658560 -0.7201340 -0.7223340 4.8285370
0.5200570 0.3319940 -0.1479750 -0.2329270 0.1376370 2.7509010 -0.3926750
0.2791940 0.1196780 0.0386590 0.1881850 1.3208230 -0.6597320 -3.7726170
0.1411090 0.0152740 0.3035940 0.5757960 0.0390320 -1.8013110 3.6464610
0.0720550 0.0016430 0.4473500 0.3740800 -0.8284200 1.0385280 -1.0065150
0.0368770 0.0001240 0.3065650 0.0636110 -0.1838630 0.3234930 -0.4055450
Mo P
0.0185410 1.0000000
Mo D
121.6940000 0.0000430 -0.0000420 0.0000560 -0.0001490 0.0003820
37.9153000 0.0003210 -0.0003950 0.0007130 -0.0004390 -0.0002090
13.8001000 0.0024520 -0.0024260 0.0032640 -0.0073650 0.0165020
7.0341100 -0.0129520 0.0136530 -0.0203340 0.0369350 -0.0730110
2.2296100 0.0869780 -0.1074850 0.2195370 -0.3927060 1.1663390
1.2332600 0.2230470 -0.2745980 0.4896540 -0.7854210 -0.3354510
0.6580150 0.3057440 -0.3226190 0.1146290 1.1451810 -2.1052470
0.3408490 0.3010910 -0.0193610 -0.7253560 0.5581360 2.6473930
0.1702370 0.2211450 0.3880950 -0.4021370 -1.2765790 -0.9034610
0.0814650 0.1061110 0.4635180 0.5394560 0.0826430 -0.7865590
Mo D
0.0364040 1.0000000
Mo F
3.7483000 1.0000000
Mo F
1.3601000 1.0000000
Mo F
0.4935000 1.0000000
Mo F
0.1791000 1.0000000
Mo G
1.8089000 1.0000000
Mo G
0.7028000 1.0000000
Mo G
0.2731000 1.0000000
Mo H
1.4359000 1.0000000
Mo H
0.4989000 1.0000000
Mo I
1.0504000 1.0000000
end
basis "Tc_cc-pV5Z-PP" SPHERICAL
Tc S
17206.1000000 0.0000030 -0.0000010 -0.0000020 -0.0000030 -0.0000030 0.0000250
2992.5600000 0.0000170 -0.0000060 -0.0000110 -0.0000230 -0.0000400 -0.0001240
736.9910000 0.0000800 -0.0000250 -0.0000590 -0.0000720 -0.0000510 0.0012600
205.5530000 0.0002670 -0.0000930 -0.0001670 -0.0003960 -0.0007450 -0.0035430
33.2151000 0.0078690 -0.0022740 -0.0056120 -0.0046100 0.0014000 0.1803670
20.6748000 -0.0601480 0.0180760 0.0404370 0.0479370 0.0362900 -0.7581280
12.9128000 0.1800930 -0.0566300 -0.1218380 -0.1744360 -0.2004820 1.3999600
4.9296000 -0.3959580 0.1415000 0.3175450 0.4931760 0.6195120 -5.0560170
3.0780000 -0.3043510 0.0896770 0.1761190 0.4993970 1.2301670 5.9286850
1.4330700 0.4631650 -0.1820780 -0.4174700 -1.9457120 -7.0589450 2.6361380
0.7850940 0.6506150 -0.3110970 -1.2362890 -1.1774070 8.0335410 -11.8324410
0.4109580 0.2611890 -0.2195910 0.6215290 3.8949770 -1.7154560 12.9918620
0.1635520 0.0193360 0.1661460 1.7319950 -1.4291270 -4.7009650 -10.5254010
0.0831080 -0.0022600 0.5216880 -0.4239580 -1.7103600 5.7932860 6.9318900
0.0412910 0.0023790 0.4406250 -0.7662060 1.2744810 -1.9433410 -1.1637260
Tc S
0.0206960 1.0000000
Tc P
110.0940000 0.0001580 -0.0000490 -0.0000790 -0.0001250 -0.0002190 -0.0010540
19.3763000 -0.0035820 0.0010780 0.0016840 0.0020880 0.0039020 0.0402010
12.1039000 0.0473040 -0.0146590 -0.0237720 -0.0385470 -0.0643300 -0.2586290
7.5605900 -0.0901640 0.0298090 0.0481110 0.0786910 0.1283100 0.5555950
4.4880700 -0.1347230 0.0388170 0.0666930 0.1379870 0.2820210 0.1224290
1.8095700 0.2693510 -0.0965520 -0.1659810 -0.3919830 -1.3761600 -4.1679360
1.0365700 0.4333910 -0.1579670 -0.2832980 -0.7350740 -0.5105690 6.0659110
0.5792180 0.3307410 -0.1427920 -0.2222080 0.2126760 2.7459000 -1.9093600
0.3137450 0.1231930 0.0305240 0.2074440 1.2695030 -0.8167420 -2.6276470
0.1568500 0.0166350 0.2884550 0.5684030 0.0245080 -1.6588020 3.0442550
0.0791520 0.0012880 0.4457180 0.3674650 -0.8141240 0.9996640 -0.8378840
0.0399360 0.0002620 0.3220300 0.0638710 -0.1766070 0.3109130 -0.4207810
Tc P
0.0198050 1.0000000
Tc D
147.8790000 0.0000380 -0.0000380 -0.0000590 -0.0002210 0.0004320
44.5973000 0.0003130 -0.0003480 -0.0006690 0.0001240 -0.0008250
15.8122000 0.0024000 -0.0024090 -0.0036400 -0.0105590 0.0195710
7.7441100 -0.0134860 0.0140090 0.0229510 0.0483530 -0.0868210
2.4373000 0.0953100 -0.1101300 -0.2570080 -0.5085800 1.3937670
1.3541800 0.2361570 -0.2888920 -0.5438730 -0.7230890 -0.9352970
0.7240750 0.3127100 -0.3137240 0.0003200 1.4798980 -1.5827330
0.3757400 0.2948200 0.0168230 0.7907550 0.0851340 2.6826090
0.1881510 0.2069870 0.4061120 0.2692510 -1.1676390 -1.3200450
0.0902200 0.0958940 0.4507060 -0.5643750 0.2485510 -0.4836410
Tc D
0.0403970 1.0000000
Tc F
4.2418000 1.0000000
Tc F
1.5614000 1.0000000
Tc F
0.5748000 1.0000000
Tc F
0.2116000 1.0000000
Tc G
2.0938000 1.0000000
Tc G
0.8341000 1.0000000
Tc G
0.3322000 1.0000000
Tc H
1.6854000 1.0000000
Tc H
0.6024000 1.0000000
Tc I
1.2796000 1.0000000
end
basis "Ru_cc-pV5Z-PP" SPHERICAL
Ru S
19299.8000000 0.0000030 -0.0000010 -0.0000020 -0.0000030 0.0000040 0.0000230
3177.3700000 0.0000200 -0.0000070 -0.0000140 -0.0000270 0.0000430 -0.0000980
765.8330000 0.0000950 -0.0000300 -0.0000720 -0.0000770 0.0000790 0.0012210
211.4960000 0.0003080 -0.0001060 -0.0002090 -0.0004640 0.0007840 -0.0032650
35.0757000 0.0083090 -0.0023580 -0.0060060 -0.0034310 -0.0002520 0.1737770
21.9030000 -0.0632120 0.0187130 0.0437210 0.0435600 -0.0414040 -0.7367660
13.6802000 0.1901360 -0.0590350 -0.1337450 -0.1685750 0.2122220 1.3965620
5.3150900 -0.4067830 0.1438090 0.3399780 0.4213160 -0.6129970 -4.9906930
3.3134900 -0.3157160 0.0917470 0.2018620 0.6761790 -1.3029140 5.7228190
1.5814300 0.4593270 -0.1785050 -0.4762560 -2.1415420 6.8391020 2.9121610
0.8643690 0.6609700 -0.3084170 -1.2530110 -0.9179220 -7.3342220 -11.6124150
0.4506120 0.2670720 -0.2157970 0.6941080 3.5933410 1.1444100 11.9740470
0.1789360 0.0199530 0.1485450 1.6393940 -1.1992150 4.6239940 -8.5025420
0.0912570 -0.0021010 0.4989270 -0.3814940 -1.7139110 -4.9835290 4.2242350
0.0451000 0.0026110 0.4586780 -0.7088780 1.0266150 0.9748290 0.7743310
Ru S
0.0223550 1.0000000
Ru P
117.2370000 0.0001710 -0.0000510 -0.0000900 -0.0001290 -0.0002780 0.0017130
20.7333000 -0.0037910 0.0010780 0.0017770 0.0015970 0.0057760 -0.0706410
12.9507000 0.0494600 -0.0146490 -0.0260710 -0.0386800 -0.0753300 0.4067880
8.0899500 -0.0935020 0.0296310 0.0524460 0.0772870 0.1453890 -0.8834800
4.8490800 -0.1382150 0.0382110 0.0750510 0.1607700 0.3079470 0.1779200
1.9778800 0.2683490 -0.0928960 -0.1829280 -0.4461050 -1.5692810 4.3766540
1.1455500 0.4277090 -0.1473950 -0.3078280 -0.7576460 -0.2945160 -7.0040540
0.6482270 0.3304950 -0.1359030 -0.2185800 0.3046770 2.7715630 3.1071030
0.3551440 0.1309020 0.0164930 0.2422150 1.2331310 -1.0011960 1.7303090
0.1744130 0.0189890 0.2619010 0.5764140 -0.0284230 -1.5318570 -2.5752480
0.0869520 0.0007960 0.4379230 0.3424880 -0.8005390 1.0075060 0.7145120
0.0431790 0.0004620 0.3491360 0.0576060 -0.1561480 0.2768800 0.4369110
Ru P
0.0210170 1.0000000
Ru D
126.3940000 0.0000620 -0.0000650 -0.0001260 -0.0004320 0.0007420
38.4493000 0.0004470 -0.0004850 -0.0006780 0.0008930 -0.0022720
14.0214000 0.0046720 -0.0047640 -0.0084960 -0.0265410 0.0464760
8.7168300 -0.0197340 0.0206400 0.0357220 0.0806860 -0.1390570
2.6814400 0.1027520 -0.1179830 -0.2630280 -0.6169190 1.5532480
1.4904300 0.2437180 -0.3073060 -0.5763400 -0.6312030 -1.3228490
0.8005330 0.3148070 -0.3048730 0.0800930 1.5959590 -1.1972270
0.4157270 0.2913270 0.0527010 0.7885720 -0.1385200 2.5728670
0.2077370 0.1999600 0.4182880 0.2113330 -1.0618020 -1.4467020
0.0994320 0.0897340 0.4296250 -0.5603510 0.2800800 -0.3538990
Ru D
0.0445150 1.0000000
Ru F
4.7448000 1.0000000
Ru F
1.7724000 1.0000000
Ru F
0.6621000 1.0000000
Ru F
0.2473000 1.0000000
Ru G
2.4116000 1.0000000
Ru G
0.9824000 1.0000000
Ru G
0.4002000 1.0000000
Ru H
1.9595000 1.0000000
Ru H
0.7182000 1.0000000
Ru I
1.5211000 1.0000000
end
basis "Rh_cc-pV5Z-PP" SPHERICAL
Rh S
21832.7000000 0.0000030 -0.0000010 -0.0000020 -0.0000030 0.0000040 0.0000210
3389.9700000 0.0000240 -0.0000080 -0.0000170 -0.0000290 0.0000480 -0.0000690
781.0700000 0.0001140 -0.0000360 -0.0000850 -0.0000950 0.0000980 0.0012120
216.0190000 0.0003550 -0.0001200 -0.0002460 -0.0004910 0.0008910 -0.0030230
37.1478000 0.0085080 -0.0023870 -0.0059450 -0.0035990 -0.0014470 0.1639110
23.1083000 -0.0660950 0.0193000 0.0447560 0.0443220 -0.0375770 -0.7163330
14.4317000 0.2021170 -0.0618830 -0.1402840 -0.1707100 0.2101840 1.4184520
5.8301800 -0.3922910 0.1369210 0.3199220 0.3489400 -0.4611150 -4.7358790
3.6414400 -0.3497620 0.1016360 0.2438410 0.7684870 -1.6108260 4.9303180
1.7443600 0.4436390 -0.1709760 -0.4808860 -2.0291740 6.8065790 4.0258820
0.9544830 0.6724460 -0.3020800 -1.2151130 -0.9961410 -6.5983950 -12.2373550
0.4957220 0.2789020 -0.2162190 0.6314320 3.2909150 0.3159030 11.5918450
0.1972170 0.0213410 0.1234140 1.5229110 -0.6266260 4.7149700 -7.0765130
0.1007830 -0.0021650 0.4756350 -0.2015840 -1.9269000 -4.2251970 2.2917410
0.0493120 0.0028100 0.4790980 -0.6713180 0.7139260 0.1371840 1.9790030
Rh S
0.0241430 1.0000000
Rh P
126.8950000 0.0001770 0.0000550 -0.0000980 -0.0001270 0.0003070 0.0027350
22.1563000 -0.0038910 -0.0011520 0.0018920 0.0010390 -0.0066540 -0.1231310
13.8416000 0.0512340 0.0156510 -0.0283260 -0.0381160 0.0820080 0.6519300
8.6498500 -0.0967430 -0.0316240 0.0568270 0.0742070 -0.1565480 -1.4266700
5.2356500 -0.1392860 -0.0394170 0.0808640 0.1808650 -0.3241510 0.7856840
2.0960100 0.2960810 0.1048950 -0.2178660 -0.5557710 1.8842890 3.8575010
1.1856100 0.4480270 0.1629630 -0.3557870 -0.7574480 -0.4041380 -7.3253360
0.6548460 0.3157510 0.1292980 -0.1484260 0.6581560 -2.5452610 4.8205480
0.3507950 0.1047680 -0.0504110 0.3299460 1.0716110 1.6096150 0.0773280
0.1768320 0.0124100 -0.2914830 0.5494040 -0.2632840 1.0050700 -2.0257170
0.0893810 0.0014220 -0.4350730 0.2856970 -0.7078180 -0.9612990 0.7522250
0.0449290 0.0000690 -0.3172440 0.0470300 -0.1314850 -0.2291410 0.3812670
Rh P
0.0221180 1.0000000
Rh D
169.5310000 0.0000510 -0.0000540 -0.0001100 -0.0003860 0.0005000
51.2417000 0.0004110 -0.0004690 -0.0005680 0.0006740 -0.0007080
18.0404000 0.0030420 -0.0032240 -0.0059100 -0.0174990 0.0238930
8.5880400 -0.0166720 0.0181670 0.0317740 0.0777310 -0.1199090
2.9496700 0.1032810 -0.1263380 -0.2642410 -0.7081600 1.7336230
1.6544200 0.2481940 -0.3264720 -0.5975800 -0.5498590 -1.7712510
0.8904260 0.3174060 -0.2963840 0.1355410 1.6977800 -0.7479950
0.4633730 0.2885080 0.0852360 0.7913050 -0.3294410 2.4181170
0.2323630 0.1951360 0.4211570 0.1657550 -0.9849480 -1.5548010
0.1115080 0.0869160 0.4122960 -0.5661660 0.3255790 -0.2245550
Rh D
0.0498560 1.0000000
Rh F
5.3897000 1.0000000
Rh F
2.0281000 1.0000000
Rh F
0.7631000 1.0000000
Rh F
0.2872000 1.0000000
Rh G
2.7314000 1.0000000
Rh G
1.1306000 1.0000000
Rh G
0.4680000 1.0000000
Rh H
2.2344000 1.0000000
Rh H
0.8332000 1.0000000
Rh I
1.7562000 1.0000000
end
basis "Pd_cc-pV5Z-PP" SPHERICAL
Pd S
23205.8000000 0.0000040 -0.0000010 -0.0000030 -0.0000030 0.0000050 0.0000210
3771.3900000 0.0000260 -0.0000080 -0.0000180 -0.0000290 0.0000500 -0.0000440
844.9990000 0.0001310 -0.0000400 -0.0000910 -0.0001140 0.0001360 0.0011420
225.9440000 0.0004110 -0.0001360 -0.0002830 -0.0005170 0.0009530 -0.0025270
38.8963000 0.0090500 -0.0024860 -0.0057460 -0.0045640 0.0001240 0.1585010
24.1744000 -0.0704390 0.0201470 0.0444640 0.0489840 -0.0460830 -0.7129760
15.0365000 0.2205020 -0.0662560 -0.1445380 -0.1846820 0.2371650 1.4991850
6.3733900 -0.3870080 0.1325870 0.2911970 0.3146920 -0.3984760 -4.6944470
3.9804400 -0.3797990 0.1092390 0.2762860 0.8163900 -1.8326780 4.5188420
1.9137000 0.4295680 -0.1627670 -0.4601500 -1.8779410 6.8724880 4.6444410
1.0468500 0.6843810 -0.2960000 -1.1330410 -1.1420460 -6.1783150 -12.5365850
0.5411240 0.2882870 -0.2160960 0.4924230 3.0474940 -0.2248680 11.3925910
0.2196040 0.0221970 0.0963740 1.3766480 -0.1049950 4.6156480 -6.2020290
0.1112430 -0.0015960 0.4558370 0.0484350 -2.0487230 -3.4660850 1.0900570
0.0534930 0.0027420 0.4989750 -0.6259790 0.3851940 -0.4541080 2.5822440
Pd S
0.0257800 1.0000000
Pd P
135.2730000 0.0001860 0.0000520 -0.0001040 -0.0001310 -0.0003150 0.0026410
23.0761000 -0.0042710 -0.0011170 0.0019740 0.0009520 0.0070780 -0.1240410
14.4134000 0.0572330 0.0158880 -0.0321810 -0.0422710 -0.0921880 0.6943910
9.0041900 -0.1141790 -0.0339130 0.0679970 0.0863860 0.1858700 -1.6053290
5.4158400 -0.1393110 -0.0359330 0.0879620 0.2024090 0.3626280 0.9787740
2.3507900 0.2759960 0.0898220 -0.2180220 -0.5619670 -1.9075530 3.7381710
1.3344000 0.4534040 0.1469780 -0.3798210 -0.7866710 0.2850310 -7.0266130
0.7335470 0.3309520 0.1251760 -0.1555920 0.6594830 2.6540280 4.4199910
0.3901660 0.1132910 -0.0286040 0.3620100 1.0680100 -1.6918510 0.2264390
0.1885570 0.0133410 -0.2727070 0.5655060 -0.3256270 -0.9002340 -2.0342680
0.0914820 0.0008830 -0.4437890 0.2574090 -0.6924840 0.9919570 0.8948020
0.0443940 0.0001700 -0.3369100 0.0354870 -0.0896270 0.1504650 0.2625200
Pd P
0.0213240 1.0000000
Pd D
167.0870000 0.0000670 -0.0000710 -0.0001380 -0.0004510 0.0004100
50.0032000 0.0005480 -0.0006690 -0.0007620 0.0004420 0.0008160
16.8214000 0.0048040 -0.0050930 -0.0090550 -0.0252640 0.0269820
8.3725000 -0.0260080 0.0289100 0.0494340 0.1211200 -0.1669320
3.2530000 0.1117880 -0.1420360 -0.2791340 -0.8240850 1.9129540
1.8099900 0.2537740 -0.3472040 -0.6165230 -0.4459430 -2.1612950
0.9770620 0.3178150 -0.2840980 0.1959360 1.7601450 -0.3296250
0.5108750 0.2844650 0.1173250 0.7916730 -0.4859570 2.2594400
0.2575330 0.1902230 0.4242370 0.1203390 -0.9235150 -1.6367960
0.1240940 0.0840140 0.3951490 -0.5738380 0.3647560 -0.1129480
Pd D
0.0555480 1.0000000
Pd F
6.0582000 1.0000000
Pd F
2.2929000 1.0000000
Pd F
0.8678000 1.0000000
Pd F
0.3284000 1.0000000
Pd G
3.0536000 1.0000000
Pd G
1.2845000 1.0000000
Pd G
0.5403000 1.0000000
Pd H
2.5202000 1.0000000
Pd H
0.9498000 1.0000000
Pd I
2.0051000 1.0000000
end
basis "Ag_cc-pV5Z-PP" SPHERICAL
Ag S
25508.1000000 0.0000040 -0.0000010 -0.0000020 -0.0000040 0.0000040 0.0000170
3866.3000000 0.0000280 -0.0000090 -0.0000170 -0.0000300 0.0000500 -0.0000190
865.7950000 0.0001350 -0.0000390 -0.0000820 -0.0001270 0.0001230 0.0009450
233.7790000 0.0004160 -0.0001340 -0.0002540 -0.0004850 0.0009330 -0.0016800
37.2712000 0.0127210 -0.0032320 -0.0069860 -0.0087960 0.0002690 0.1524090
23.2321000 -0.1060860 0.0285990 0.0587420 0.0844370 -0.0650020 -0.7759530
14.4818000 0.3478570 -0.0993380 -0.2016470 -0.3097690 0.3349260 1.9303510
7.3301500 -0.4498720 0.1440280 0.2988210 0.4106920 -0.3194330 -4.2339830
4.5473600 -0.4203070 0.1160400 0.2442880 0.7069170 -1.8296210 2.6067280
2.0080500 0.4493320 -0.1592840 -0.3773370 -1.6230910 6.6173400 7.2255220
1.1266200 0.6736920 -0.2796960 -0.9639450 -1.3670390 -5.7144920 -14.6194840
0.5879060 0.2820160 -0.2088490 0.3002400 2.8875900 -0.6955270 11.5983870
0.2291650 0.0195830 0.0876200 1.2470290 0.3739690 4.6598300 -5.3179280
0.1193530 -0.0022100 0.4317620 0.2516930 -2.0992070 -3.0805350 0.0988350
0.0574270 0.0027200 0.5040820 -0.5123710 0.0811730 -0.9140990 3.1887390
Ag S
0.0274470 1.0000000
Ag P
260.3710000 0.0000690 -0.0000210 -0.0000430 -0.0000760 0.0001220 -0.0002500
41.8770000 0.0022080 -0.0004160 -0.0008860 -0.0015200 0.0020380 0.0290440
26.0818000 -0.0147130 0.0031050 0.0065390 0.0113040 -0.0168560 -0.1328380
16.2999000 0.0615000 -0.0149150 -0.0310780 -0.0549030 0.0870650 0.3460190
7.3321200 -0.2486090 0.0668090 0.1388240 0.2531400 -0.4436140 -1.5383300
3.6115300 -0.0118610 -0.0026860 0.0073970 0.0793900 -0.0954220 3.6966010
2.2577400 0.4010540 -0.1167180 -0.2866860 -0.8748950 2.4160670 -0.9815190
1.1956300 0.4854900 -0.1647480 -0.3796850 -0.4976100 -1.9911940 -4.0384050
0.6173070 0.2548630 -0.0798760 0.0463330 1.2448050 -1.0682060 4.6615100
0.2882140 0.0438670 0.1495800 0.5493950 0.5008560 2.2401820 -2.0830800
0.1338710 0.0004240 0.4198200 0.4688010 -0.8438290 -0.6925270 -0.3652860
0.0606670 0.0010760 0.4512040 0.1012000 -0.2683590 -0.5043030 0.8759320
Ag P
0.0269870 1.0000000
Ag D
210.1510000 0.0000520 -0.0000660 -0.0001370 -0.0004150 0.0003520
63.2213000 0.0004340 -0.0005960 -0.0004700 0.0006290 0.0007750
22.1947000 0.0029780 -0.0037550 -0.0067560 -0.0178470 0.0185820
9.1637800 -0.0210360 0.0277510 0.0471090 0.1162800 -0.1729500
3.6926500 0.0894730 -0.1382930 -0.2590530 -0.8457040 2.3357180
2.1724700 0.2311140 -0.3844080 -0.6886270 -0.5895720 -2.8172180
1.2150400 0.3114170 -0.3282910 0.2530610 2.0652320 -0.1337660
0.6545310 0.2939390 0.1446150 0.8530670 -0.6109170 2.5210640
0.3396100 0.2033710 0.4584850 0.0652370 -1.0511820 -1.9791920
0.1684380 0.0909880 0.3562670 -0.6296830 0.5253630 0.0719550
Ag D
0.0778390 1.0000000
Ag F
6.8653000 1.0000000
Ag F
2.6130000 1.0000000
Ag F
0.9945000 1.0000000
Ag F
0.3785000 1.0000000
Ag G
3.4082000 1.0000000
Ag G
1.4573000 1.0000000
Ag G
0.6232000 1.0000000
Ag H
2.8332000 1.0000000
Ag H
1.0814000 1.0000000
Ag I
2.2640000 1.0000000
end
basis "Cd_cc-pV5Z-PP" SPHERICAL
Cd S
27436.6000000 0.0000050 -0.0000010 -0.0000040 0.0000050 0.0000110 0.0000370
3908.4100000 0.0000360 -0.0000110 -0.0000300 0.0000440 0.0000370 -0.0001320
873.4940000 0.0001700 -0.0000500 -0.0001410 0.0001880 0.0005380 0.0024830
240.9660000 0.0005020 -0.0001630 -0.0004170 0.0006600 -0.0000070 -0.0065150
40.1547000 0.0127020 -0.0032580 -0.0094010 0.0102790 0.0603180 0.3870050
24.9336000 -0.1035310 0.0280860 0.0769120 -0.0949060 -0.3399990 -1.8211490
15.5229000 0.3364200 -0.0967480 -0.2625420 0.3459450 0.9281550 4.1013790
7.5728300 -0.4851990 0.1571350 0.4359870 -0.5089720 -1.8591730 -10.8420120
4.7268900 -0.3783880 0.1024990 0.3210280 -0.9101160 -0.2801740 12.7409230
2.0631900 0.5224540 -0.1865410 -0.8122860 3.1543360 8.2506400 -5.1541990
1.1298200 0.6637710 -0.2931460 -1.1743820 -0.4410900 -12.0499770 -3.4644710
0.5872270 0.2282000 -0.1881750 1.0056440 -3.3567240 6.2942470 8.9259320
0.2363260 0.0114000 0.1461350 1.4442850 2.1849250 1.0740050 -10.6562160
0.1190290 -0.0014050 0.4696640 -0.4737790 0.8653930 -3.6683230 9.0099110
0.0575930 0.0004300 0.4688420 -0.6115230 -1.0763220 1.7381910 -3.2748060
Cd S
0.0277550 1.0000000
Cd P
323.2680000 0.0000660 -0.0000180 -0.0000370 0.0000750 0.0001040 0.0004590
63.5891000 0.0006790 -0.0001490 -0.0002500 0.0003980 0.0007300 -0.0137780
28.2035000 -0.0084230 0.0018740 0.0033640 -0.0057820 -0.0101520 0.1210560
17.5936000 0.0503170 -0.0123180 -0.0232440 0.0433640 0.0715170 -0.3918450
8.2024800 -0.2028140 0.0544420 0.1021120 -0.1923230 -0.3380230 1.7758150
5.1107900 -0.0532690 0.0093530 0.0308760 -0.1152710 -0.2023430 -2.1445560
2.5359300 0.3654550 -0.1069270 -0.2370240 0.7466690 2.2073870 -1.8817220
1.3583900 0.4938280 -0.1532950 -0.3339430 0.6295210 -1.3076250 5.5206530
0.7055230 0.2777250 -0.0952330 -0.0657160 -1.0489700 -1.7517320 -4.8059090
0.3383690 0.0520750 0.1139870 0.4686380 -0.7581520 2.2717260 1.4522180
0.1513800 0.0016680 0.4051120 0.5646730 0.7903170 -0.3680670 0.9494530
0.0663680 0.0008590 0.4787540 0.1388640 0.3390040 -0.6504470 -1.0871290
Cd P
0.0286620 1.0000000
Cd D
218.4830000 0.0000650 -0.0000970 0.0002240 -0.0005500 -0.0002590
66.0856000 0.0005290 -0.0007610 0.0001890 0.0011980 -0.0019310
23.4767000 0.0035540 -0.0051260 0.0103380 -0.0240170 -0.0166050
10.7919000 -0.0179510 0.0266220 -0.0485980 0.1100430 0.1247370
3.9868400 0.1024190 -0.1831690 0.3396490 -0.9701910 -2.2613790
2.2758000 0.2560070 -0.4777630 0.6937940 -0.2134990 3.1601810
1.2538100 0.3240110 -0.2557580 -0.5948220 2.0135070 -0.6317200
0.6747590 0.2838860 0.3026490 -0.7538480 -1.0556350 -2.1371480
0.3548570 0.1777130 0.4657800 0.1934390 -0.8484480 2.2270340
0.1809700 0.0690630 0.2503160 0.6360650 0.6878900 -0.3921130
Cd D
0.0870760 1.0000000
Cd F
7.7498000 1.0000000
Cd F
2.9569000 1.0000000
Cd F
1.1282000 1.0000000
Cd F
0.4305000 1.0000000
Cd G
3.7971000 1.0000000
Cd G
1.6322000 1.0000000
Cd G
0.7016000 1.0000000
Cd H
3.1822000 1.0000000
Cd H
1.2197000 1.0000000
Cd I
2.5498000 1.0000000
end
basis "In_cc-pV5Z-PP" SPHERICAL
In S
23226.5000000 0.0000060 -0.0000020
3635.5400000 0.0000400 -0.0000140
862.5840000 0.0001740 -0.0000590
246.6930000 0.0004750 -0.0001760
46.3849000 0.0077520 -0.0022770
27.0364000 -0.0817480 0.0255530
16.7272000 0.2960130 -0.0981890
8.3890400 -0.3606080 0.1379040
5.2364700 -0.5234820 0.1693530
2.8696600 0.2712000 -0.1105590
1.5386800 0.7659270 -0.3444540
In S
0.7910200 1.0000000
In S
0.3111880 1.0000000
In S
0.1791140 1.0000000
In S
0.0848660 1.0000000
In S
0.0391490 1.0000000
In P
306.9880000 0.0000780 -0.0000200
51.1659000 0.0020370 -0.0003580
31.9605000 -0.0117730 0.0021900
19.9080000 0.0469550 -0.0098370
8.2245100 -0.2358350 0.0550350
4.4523400 -0.0048270 -0.0053810
2.5254500 0.4290200 -0.1056280
1.3169800 0.5023400 -0.1394910
In P
0.6633140 1.0000000
In P
0.2883470 1.0000000
In P
0.1300600 1.0000000
In P
0.0576000 1.0000000
In P
0.0252850 1.0000000
In D
608.1530000 0.0000090
185.8550000 0.0000780
74.0897000 0.0004030
30.3368000 0.0022870
12.5122000 -0.0144790
5.2219900 0.0375860
3.2414000 0.1876030
1.8445200 0.3128050
1.0139400 0.3213200
In D
0.5454830 1.0000000
In D
0.2866790 1.0000000
In D
0.1447350 1.0000000
In D
0.0627000 1.0000000
In F
0.4871000 1.0000000
In F
0.2400000 1.0000000
In F
0.1182000 1.0000000
In G
0.4878000 1.0000000
In G
0.2294000 1.0000000
In H
0.4218000 1.0000000
end
basis "Sn_cc-pV5Z-PP" SPHERICAL
Sn S
41524.9000000 0.0000060 -0.0000020
6000.7500000 0.0000480 -0.0000190
1326.3100000 0.0002400 -0.0000940
363.7110000 0.0007770 -0.0003130
97.9293000 0.0018850 -0.0007070
30.0010000 -0.0402990 0.0144380
18.7349000 0.1883810 -0.0710470
9.1043300 -0.2212780 0.1007630
5.5714300 -0.5997290 0.2248780
3.3742800 0.2466100 -0.1227210
1.6921300 0.7830120 -0.3891720
Sn S
0.8754970 1.0000000
Sn S
0.3705530 1.0000000
Sn S
0.2052470 1.0000000
Sn S
0.0996540 1.0000000
Sn S
0.0470050 1.0000000
Sn P
484.0730000 0.0000660 -0.0000190
107.9790000 0.0004420 -0.0001210
36.0268000 -0.0032360 0.0008090
22.4952000 0.0263630 -0.0070820
9.4056500 -0.1539330 0.0459760
5.8779100 -0.0758040 0.0138370
2.9250900 0.3723880 -0.1161060
1.5499000 0.5203090 -0.1687050
Sn P
0.7940910 1.0000000
Sn P
0.3640900 1.0000000
Sn P
0.1708260 1.0000000
Sn P
0.0780380 1.0000000
Sn P
0.0348330 1.0000000
Sn D
664.3080000 0.0000100
207.9720000 0.0000880
81.1454000 0.0004880
33.1164000 0.0025780
13.7707000 -0.0126880
6.2054200 0.0342470
3.6403300 0.1897620
2.0641100 0.3204930
1.1405200 0.3274000
Sn D
0.6180670 1.0000000
Sn D
0.3262520 1.0000000
Sn D
0.1656920 1.0000000
Sn D
0.0754000 1.0000000
Sn F
0.5251000 1.0000000
Sn F
0.2663000 1.0000000
Sn F
0.1351000 1.0000000
Sn G
0.5325000 1.0000000
Sn G
0.2542000 1.0000000
Sn H
0.4681000 1.0000000
end
basis "Sb_cc-pV5Z-PP" SPHERICAL
Sb S
33072.9000000 0.0000110 -0.0000050
5025.3400000 0.0000840 -0.0000360
1152.3600000 0.0003940 -0.0001650
324.1960000 0.0011820 -0.0005160
85.8607000 0.0028700 -0.0011170
27.6760000 -0.0696230 0.0259750
17.2890000 0.3522220 -0.1400980
10.4866000 -0.3578770 0.1623690
5.9297700 -0.6419650 0.2485120
3.7029000 0.2554680 -0.1210240
1.8529800 0.7898580 -0.4192720
Sb S
0.9803990 1.0000000
Sb S
0.4387490 1.0000000
Sb S
0.2455130 1.0000000
Sb S
0.1207110 1.0000000
Sb S
0.0574520 1.0000000
Sb P
457.9840000 0.0000810 -0.0000260
101.9180000 0.0005270 -0.0001500
30.5679000 -0.0068360 0.0017310
19.1002000 0.0604270 -0.0174470
9.7255700 -0.2305800 0.0738980
6.0763700 -0.0447360 0.0038840
3.0330600 0.4044060 -0.1356280
1.6258100 0.5166630 -0.1942500
Sb P
0.8500760 1.0000000
Sb P
0.4008310 1.0000000
Sb P
0.1950610 1.0000000
Sb P
0.0923680 1.0000000
Sb P
0.0424560 1.0000000
Sb D
681.4100000 0.0000120
208.4790000 0.0001150
81.4487000 0.0006280
33.6360000 0.0030890
12.9671000 -0.0155390
7.0605500 0.0295200
4.0031000 0.1904230
2.2791300 0.3254420
1.2738500 0.3308710
Sb D
0.6997310 1.0000000
Sb D
0.3737590 1.0000000
Sb D
0.1903860 1.0000000
Sb D
0.0892000 1.0000000
Sb F
0.5731000 1.0000000
Sb F
0.3011000 1.0000000
Sb F
0.1582000 1.0000000
Sb G
0.5896000 1.0000000
Sb G
0.2885000 1.0000000
Sb H
0.5236000 1.0000000
end
basis "Te_cc-pV5Z-PP" SPHERICAL
Te S
40797.2000000 0.0000170 -0.0000080
6127.0900000 0.0001270 -0.0000600
1389.1500000 0.0006160 -0.0002860
387.4630000 0.0019490 -0.0009300
113.3550000 0.0036970 -0.0016670
28.3246000 -0.0634120 0.0248270
17.7003000 0.3663950 -0.1551980
11.0610000 -0.3902080 0.1884320
6.2078500 -0.6311370 0.2568490
3.8784800 0.2546080 -0.1275780
1.9881800 0.7861460 -0.4490950
Te S
1.0735600 1.0000000
Te S
0.5093220 1.0000000
Te S
0.2801250 1.0000000
Te S
0.1391010 1.0000000
Te S
0.0661510 1.0000000
Te P
516.0760000 0.0000930 -0.0000320
118.0290000 0.0005840 -0.0001870
30.8754000 -0.0052630 0.0013200
19.2977000 0.0644520 -0.0201290
10.4824000 -0.2263180 0.0787750
6.3011000 -0.0634930 0.0096720
3.3279000 0.3913600 -0.1421820
1.7979300 0.5260480 -0.2187870
Te P
0.9501290 1.0000000
Te P
0.4555780 1.0000000
Te P
0.2208730 1.0000000
Te P
0.1036080 1.0000000
Te P
0.0471160 1.0000000
Te D
688.2210000 0.0000160
207.0780000 0.0001570
80.6678000 0.0008380
34.0224000 0.0037600
13.0033000 -0.0175410
8.1197900 0.0293380
4.4298400 0.1858750
2.5350700 0.3281340
1.4282700 0.3350310
Te D
0.7931480 1.0000000
Te D
0.4313130 1.0000000
Te D
0.2292640 1.0000000
Te D
0.1060000 1.0000000
Te F
0.6149000 1.0000000
Te F
0.3194000 1.0000000
Te F
0.1659000 1.0000000
Te G
0.6129000 1.0000000
Te G
0.2902000 1.0000000
Te H
0.5376000 1.0000000
end
basis "I_cc-pV5Z-PP" SPHERICAL
I S
4.297660E+04 1.300000E-05 -6.000000E-06
6.439010E+03 9.700000E-05 -4.700000E-05
1.455780E+03 4.660000E-04 -2.230000E-04
4.053610E+02 1.441000E-03 -7.120000E-04
1.169800E+02 2.674000E-03 -1.234000E-03
2.963260E+01 -5.812100E-02 2.412100E-02
1.851000E+01 3.457590E-01 -1.556420E-01
1.156200E+01 -3.622720E-01 1.885390E-01
6.595070E+00 -6.346740E-01 2.742270E-01
4.053400E+00 2.236670E-01 -1.247080E-01
2.140900E+00 7.832730E-01 -4.731900E-01
I S
1.181640E+00 1.0000000
I S
6.003720E-01 1.0000000
I S
3.199650E-01 1.0000000
I S
1.587690E-01 1.0000000
I S
7.545100E-02 1.0000000
I P
5.696430E+02 1.150000E-04 -4.300000E-05
1.314960E+02 7.170000E-04 -2.600000E-04
3.238430E+01 -2.027000E-03 3.440000E-04
2.022540E+01 5.343600E-02 -1.823100E-02
1.123810E+01 -1.922640E-01 7.401400E-02
6.627940E+00 -9.521500E-02 2.201600E-02
3.647800E+00 3.658080E-01 -1.478730E-01
1.988530E+00 5.364310E-01 -2.411660E-01
I P
1.063670E+00 1.0000000
I P
5.243030E-01 1.0000000
I P
2.553820E-01 1.0000000
I P
1.197550E-01 1.0000000
I P
5.419900E-02 1.0000000
I D
5.788080E+02 2.600000E-05
1.758530E+02 2.340000E-04
6.882920E+01 1.177000E-03
2.873540E+01 5.462000E-03
1.231660E+01 -2.753000E-02
7.611430E+00 2.097600E-02
4.704520E+00 1.768420E-01
2.794650E+00 3.194790E-01
1.616440E+00 3.387310E-01
I D
9.142110E-01 1.0000000
I D
5.047300E-01 1.0000000
I D
2.762800E-01 1.0000000
I D
1.392000E-01 1.0000000
I F
6.739000E-01 1.0000000
I F
3.631000E-01 1.0000000
I F
1.956000E-01 1.0000000
I G
6.721000E-01 1.0000000
I G
3.226000E-01 1.0000000
I H
5.908000E-01 1.0000000
end
basis "Xe_cc-pV5Z-PP" SPHERICAL
Xe S
48321.7000000 0.0000210 -0.0000110
7247.5300000 0.0001610 -0.0000850
1647.8200000 0.0007770 -0.0004060
463.2800000 0.0024510 -0.0013050
141.2520000 0.0043270 -0.0022300
30.3364000 -0.0520960 0.0213490
18.9517000 0.3623700 -0.1666670
11.8390000 -0.4511310 0.2374810
6.6022600 -0.6055000 0.2620450
4.0861100 0.3224700 -0.1705710
2.1698900 0.7959590 -0.5273020
Xe S
1.2081000 1.0000000
Xe S
0.6265520 1.0000000
Xe S
0.3299570 1.0000000
Xe S
0.1665010 1.0000000
Xe S
0.0805130 1.0000000
Xe P
606.0380000 0.0001400 -0.0000510
139.7950000 0.0008690 -0.0003600
19.3991000 0.0728320 -0.0276370
12.1272000 -0.2132170 0.0886670
7.5780500 -0.0864450 0.0162210
3.8698300 0.3516930 -0.1478720
2.2092800 0.5055770 -0.2389600
1.2518800 0.2783450 -0.1387590
Xe P
0.6815140 1.0000000
Xe P
0.3730100 1.0000000
Xe P
0.1983760 1.0000000
Xe P
0.1028230 1.0000000
Xe P
0.0509490 1.0000000
Xe D
659.6130000 0.0000290
200.7280000 0.0002670
78.7426000 0.0013840
33.3455000 0.0058650
12.6987000 -0.0229860
7.8355000 0.0533760
4.6694900 0.2158860
2.7869500 0.3250900
1.6516400 0.3081500
Xe D
0.9637090 1.0000000
Xe D
0.5521860 1.0000000
Xe D
0.3125300 1.0000000
Xe D
0.1446000 1.0000000
Xe F
0.7418000 1.0000000
Xe F
0.4239000 1.0000000
Xe F
0.2423000 1.0000000
Xe G
0.7418000 1.0000000
Xe G
0.3597000 1.0000000
Xe H
0.6575000 1.0000000
end
basis "Hf_cc-pV5Z-PP" SPHERICAL
Hf S
127.7480000 -0.0002650 0.0000500 -0.0002150 -0.0002050 -0.0004360 -0.0065390
79.4716000 0.0018600 -0.0004020 0.0013270 0.0006500 0.0017770 0.0330230
45.4455000 -0.0136810 0.0034560 -0.0082810 0.0023510 -0.0015150 -0.1319560
28.3815000 0.0789220 -0.0219560 0.0437050 -0.0394250 -0.0327300 0.3965380
17.7268000 -0.3294260 0.0967560 -0.1784800 0.2197680 0.2228950 -1.0136420
11.0709000 0.7341460 -0.2227620 0.4054010 -0.5440250 -0.5723910 1.9458380
6.8945900 -0.4835410 0.1511500 -0.2886660 0.3558480 0.3439330 -1.7872130
3.5486400 -0.5526670 0.1802400 -0.2809590 0.6157690 0.7814050 0.2408740
1.9669700 -0.0048260 0.0081550 -0.1238970 -0.0435280 0.4626060 -4.1101300
1.1896700 0.4295130 -0.1681520 0.5064930 -0.6285800 -2.7820660 17.4671040
0.7225180 0.5705330 -0.2613930 0.4808970 -2.6644980 -3.1216790 -23.3039300
0.4164450 0.3115260 -0.2841200 0.9248080 2.6677750 11.6688260 11.9257810
0.2308050 0.0487760 -0.0039800 -1.6613720 2.2901390 -9.7036820 1.7063660
0.1037990 0.0014650 0.4690960 -1.1516350 -3.5999040 1.9065390 -7.7578540
0.0497170 -0.0014370 0.5811820 1.2281220 0.6097060 2.4988180 7.2322400
Hf S
0.0237700 1.0000000
Hf P
41.4467000 -0.0006080 0.0001310 0.0001550 0.0003500 0.0007800 0.0161090
25.8855000 0.0072100 -0.0017860 -0.0024110 -0.0047590 -0.0084450 -0.0774960
16.1691000 -0.0505390 0.0134610 0.0190800 0.0361480 0.0588600 0.1644930
10.1016000 0.1824760 -0.0503600 -0.0723590 -0.1366730 -0.2212050 -0.1561020
6.3107100 -0.2021880 0.0574720 0.0825170 0.1591460 0.2683550 0.2459260
3.8365300 -0.1667920 0.0470140 0.0694090 0.1281270 0.2077140 -0.9029180
1.3993200 0.3020540 -0.0929890 -0.1384910 -0.2677180 -0.7711390 3.4050860
0.7676080 0.4675860 -0.1678660 -0.2388510 -0.7965620 -1.4253890 -3.5255490
0.4115580 0.3223530 -0.1546010 -0.2696350 0.1238840 3.4737140 -0.6189970
0.2111180 0.0902090 0.0749170 0.2559880 1.6212470 -1.5709620 3.9159700
0.0981670 0.0082420 0.4278670 0.7089890 -0.5567550 -1.1457100 -3.9242830
0.0453820 0.0010090 0.4997790 0.2477470 -0.6691030 1.2510060 1.8289550
Hf P
0.0206860 1.0000000
Hf D
35.5394000 0.0000430 -0.0000150 -0.0000920 0.0004280 0.0002690
15.2305000 -0.0006500 0.0005190 -0.0000270 -0.0016930 -0.0026550
7.7746700 0.0123910 -0.0136520 0.0172170 -0.0180860 0.0489690
4.3736500 -0.0563170 0.0657540 -0.0933910 0.1212750 -0.2528270
1.4161700 0.0928900 -0.1206020 0.2127460 -0.3064630 1.3918810
0.8379100 0.1799400 -0.2424530 0.4655750 -1.0395480 -0.1414450
0.4656750 0.2783780 -0.3683650 0.2673850 1.1482350 -2.6895820
0.2397700 0.3177230 -0.1005520 -0.8332010 0.8681360 3.1243230
0.1177200 0.2618220 0.4226440 -0.4285520 -1.6557700 -1.3526590
0.0557830 0.1262830 0.4761400 0.6530410 0.4445940 -0.4206500
Hf D
0.0251140 1.0000000
Hf F
1.0807000 1.0000000
Hf F
0.4600000 1.0000000
Hf F
0.1958000 1.0000000
Hf F
0.0834000 1.0000000
Hf G
1.0998000 1.0000000
Hf G
0.4175000 1.0000000
Hf G
0.1585000 1.0000000
Hf H
0.7694000 1.0000000
Hf H
0.2781000 1.0000000
Hf I
0.5042000 1.0000000
end
basis "Ta_cc-pV5Z-PP" SPHERICAL
Ta S
127.8860000 -0.0002790 0.0000430 0.0001110 0.0000000 0.0002870 -0.0027560
79.6219000 0.0020770 -0.0004060 -0.0008820 -0.0004300 -0.0019250 0.0149860
47.3560000 -0.0127990 0.0030990 0.0059160 0.0057360 0.0108510 -0.0565160
28.9849000 0.0750180 -0.0209290 -0.0375850 -0.0481540 -0.0629920 0.1974660
18.1009000 -0.3238420 0.0970320 0.1716390 0.2439050 0.2830470 -0.6383540
11.3049000 0.7427980 -0.2315270 -0.4111500 -0.6085090 -0.6835000 1.3988440
7.0610300 -0.4963610 0.1598630 0.2909600 0.4282320 0.4757520 -1.1057190
3.7219500 -0.5605560 0.1896500 0.3268680 0.5955070 0.6263640 -1.1405960
1.9676200 -0.0147580 0.0113860 0.0945570 0.1293500 1.1666760 -1.0047480
1.2207300 0.5206740 -0.2125120 -0.5424690 -1.4441160 -5.1480010 13.1447220
0.7094640 0.5800160 -0.3065440 -0.7913220 -1.9042060 1.1355430 -22.4925640
0.4076670 0.2439380 -0.2409180 -0.4190270 3.2780850 8.3573620 15.8588450
0.2308530 0.0336160 0.0388600 1.6532500 1.4056750 -9.1380100 -1.4127320
0.1124470 0.0003250 0.4628580 0.8989830 -3.3379110 2.0396930 -6.8494450
0.0540990 -0.0021700 0.5752370 -1.1280310 0.4211850 2.6709700 6.6999900
Ta S
0.0255890 1.0000000
Ta P
43.0864000 -0.0004490 0.0000830 0.0000770 0.0000670 0.0003680 -0.0160570
26.2162000 0.0063050 -0.0015370 -0.0020600 -0.0032700 -0.0066880 0.0835870
16.3747000 -0.0481970 0.0131640 0.0191860 0.0334630 0.0591060 -0.1864780
10.2287000 0.1858860 -0.0532870 -0.0793420 -0.1429680 -0.2496690 0.1749990
6.3885600 -0.2230500 0.0661500 0.0985250 0.1813390 0.3312620 -0.2492200
3.8820000 -0.1621140 0.0478650 0.0742280 0.1407050 0.2476020 1.0920380
1.5402200 0.2784190 -0.0900430 -0.1412360 -0.2905920 -0.9737180 -4.3225400
0.8635440 0.4672790 -0.1758890 -0.2634310 -0.8314340 -1.4213200 5.0941140
0.4684760 0.3385310 -0.1625120 -0.2924470 0.1378480 3.7940630 -0.7633390
0.2433510 0.1034880 0.0661390 0.2763780 1.6015330 -1.9375430 -3.1723950
0.1126670 0.0106060 0.4193780 0.7169410 -0.5297110 -0.8955520 3.7036060
0.0514670 0.0008630 0.5076320 0.2347510 -0.6839160 1.1723800 -1.9021510
Ta P
0.0230550 1.0000000
Ta D
35.5553000 0.0000650 -0.0000160 0.0001760 0.0002380 -0.0007060
15.2541000 -0.0010070 0.0007520 -0.0002270 -0.0002990 0.0029160
8.0507000 0.0153940 -0.0166650 -0.0202980 -0.0280330 0.0395360
4.4858200 -0.0687140 0.0802890 0.1162780 0.1647140 -0.2900840
1.4699000 0.1230910 -0.1644500 -0.3271600 -0.6247180 2.0927720
0.8349400 0.2263780 -0.3216390 -0.5766580 -0.7857680 -1.9799750
0.4639940 0.2926730 -0.3388870 0.0876950 1.7880720 -1.1050630
0.2489180 0.2921500 0.0565710 0.9151310 -0.0459510 3.0756320
0.1289160 0.2162180 0.4638630 0.1294610 -1.4392400 -2.0821770
0.0644250 0.0968860 0.4026440 -0.6372310 0.5965670 0.0657740
Ta D
0.0302690 1.0000000
Ta F
1.2045000 1.0000000
Ta F
0.5361000 1.0000000
Ta F
0.2386000 1.0000000
Ta F
0.1062000 1.0000000
Ta G
1.3234000 1.0000000
Ta G
0.5163000 1.0000000
Ta G
0.2015000 1.0000000
Ta H
0.9779000 1.0000000
Ta H
0.3503000 1.0000000
Ta I
0.6496000 1.0000000
end
basis "W_cc-pV5Z-PP" SPHERICAL
W S
128.0210000 -0.0002130 0.0000210 0.0000550 -0.0000800 -0.0002200 0.0007620
79.7690000 0.0018130 -0.0003040 -0.0006130 -0.0000040 0.0007930 -0.0035880
48.5622000 -0.0116240 0.0027070 0.0049100 0.0042400 0.0015110 0.0057020
30.1989000 0.0676740 -0.0189610 -0.0332520 -0.0425880 -0.0366030 0.0367400
18.8517000 -0.2999560 0.0915990 0.1602240 0.2317290 0.2256000 -0.3171300
11.7614000 0.7046350 -0.2249730 -0.3963830 -0.6006620 -0.5949330 0.9032690
7.3298200 -0.4663690 0.1546610 0.2773410 0.4229970 0.3658040 -0.5068010
3.8767000 -0.5914920 0.2055560 0.3628200 0.6727400 0.8681320 -2.1985630
1.9492700 0.0262780 -0.0039980 0.0727200 0.0054660 0.7539980 2.3663650
1.2144400 0.5868220 -0.2574660 -0.6834100 -1.8784650 -5.9039300 8.8286120
0.7063900 0.5430650 -0.3084040 -0.8141440 -1.2199100 3.9582880 -21.9615460
0.4094330 0.2037330 -0.2150450 -0.1123420 3.6264850 5.5054530 19.5076120
0.2304240 0.0245590 0.0978160 1.7087150 0.4866040 -8.3495450 -5.6066650
0.1120740 -0.0009150 0.4934530 0.5925350 -3.0611230 2.6769820 -4.4225920
0.0545930 -0.0027140 0.5309830 -1.0797410 0.5984560 2.1562470 5.8539150
W S
0.0262100 1.0000000
W P
44.8241000 -0.0005630 0.0001090 0.0001430 0.0002040 -0.0018840 -0.0085310
27.9957000 0.0069070 -0.0016630 -0.0025570 -0.0041800 0.0047740 0.0375330
17.4892000 -0.0501680 0.0133690 0.0216370 0.0372120 0.0293600 -0.0444050
10.9261000 0.1877100 -0.0523560 -0.0859840 -0.1517130 -0.1962880 -0.1250940
6.8251900 -0.2162930 0.0624070 0.1027430 0.1848990 0.2458850 0.1837830
4.1815300 -0.1695920 0.0487380 0.0819860 0.1538090 0.3544620 0.7029870
1.5635300 0.3171370 -0.1011590 -0.1723800 -0.3828860 -1.4928090 -4.5650170
0.8689660 0.4788210 -0.1802800 -0.3159660 -0.9138870 -0.4962540 6.7760870
0.4668820 0.3119830 -0.1366360 -0.2428930 0.6158340 3.4838900 -3.4821490
0.2376200 0.0805190 0.0929390 0.4141700 1.3591900 -2.5860700 -1.0709860
0.1124500 0.0067540 0.4060920 0.6618400 -0.7719430 -0.1732890 2.8960140
0.0520670 0.0009720 0.4865210 0.1647600 -0.5298450 0.9394390 -1.7956980
W P
0.0236130 1.0000000
W D
35.6782000 0.0000810 -0.0000100 -0.0000750 -0.0000950 0.0039060
15.4233000 -0.0023430 0.0020700 -0.0022060 -0.0028040 -0.0236200
9.2438500 0.0200330 -0.0223950 0.0308890 0.0418880 0.0010010
5.0371500 -0.0776750 0.0942650 -0.1414110 -0.2028010 0.2566630
1.5468100 0.1491040 -0.2158830 0.4576300 0.9977590 -2.4481050
0.8422000 0.2700130 -0.4052730 0.6275750 0.1418660 3.6625230
0.4583880 0.3094120 -0.2654230 -0.5604170 -2.0303660 -1.4539920
0.2475420 0.2705130 0.2303150 -0.8192870 1.2349000 -1.5880280
0.1305440 0.1768770 0.4908810 0.2636160 0.7676510 2.2358110
0.0662290 0.0662320 0.2989000 0.5844690 -0.7799460 -0.7062180
W D
0.0313960 1.0000000
W F
1.3495000 1.0000000
W F
0.6187000 1.0000000
W F
0.2836000 1.0000000
W F
0.1300000 1.0000000
W G
1.5406000 1.0000000
W G
0.6162000 1.0000000
W G
0.2465000 1.0000000
W H
1.1714000 1.0000000
W H
0.4222000 1.0000000
W I
0.8048000 1.0000000
end
basis "Re_cc-pV5Z-PP" SPHERICAL
Re S
202.7120000 -0.0000180 0.0000000 0.0000180 -0.0000310 0.0002350 0.0034650
83.1287000 0.0008080 -0.0001630 -0.0005500 0.0008940 -0.0032670 -0.0537890
51.6714000 -0.0070970 0.0018440 0.0042800 -0.0067490 0.0109550 0.2267930
32.2470000 0.0479820 -0.0144650 -0.0276130 0.0434530 -0.0003660 -0.5545730
20.1306000 -0.2305260 0.0746010 0.1340070 -0.2145210 -0.1431730 0.8903070
12.5747000 0.5362550 -0.1808000 -0.3229860 0.5288540 0.4397380 -1.0481350
7.3845200 -0.3065170 0.1099330 0.2097760 -0.3532480 -0.1194760 2.4122880
4.1728600 -0.6272000 0.2250530 0.3620910 -0.6775470 -1.3118760 -7.5736620
2.6071100 -0.0086210 0.0049640 0.0961150 -0.1518750 -0.1557260 8.1469280
1.2876400 0.6405810 -0.2913340 -0.7498160 2.4519750 6.5286810 2.9438290
0.7176620 0.5579870 -0.3384660 -0.8648990 0.4384750 -7.6129680 -17.3320220
0.4005670 0.1652750 -0.1805940 0.1811020 -4.0072560 -1.2325140 23.0838870
0.2323290 0.0172950 0.1402910 1.6121400 0.6936150 7.2714920 -13.5879670
0.1127560 0.0025800 0.5017990 0.4387040 2.7050750 -4.1794340 1.0859110
0.0551780 0.0002910 0.5030990 -1.0489500 -0.8795670 -0.5759050 3.3164740
Re S
0.0266950 1.0000000
Re P
47.9533000 -0.0002760 0.0000660 0.0000970 -0.0000210 0.0044250 0.0095020
29.9457000 0.0040490 -0.0011030 -0.0017690 0.0022630 -0.0194640 -0.0541850
18.7024000 -0.0333890 0.0097100 0.0159300 -0.0256330 0.0222630 0.1976230
11.6818000 0.1349390 -0.0407390 -0.0672890 0.1152090 0.0693960 -0.5605200
7.2963600 -0.1401110 0.0446200 0.0740170 -0.1268210 -0.0499830 0.7615590
4.5317300 -0.2024650 0.0607640 0.1009150 -0.1981360 -0.5122240 0.2039630
1.6000200 0.3485480 -0.1211460 -0.2052230 0.5068520 2.0349300 -4.6023340
0.8859210 0.4802570 -0.1957700 -0.3536700 0.9103290 -0.5892110 8.0439570
0.4730370 0.2920020 -0.1230670 -0.1740060 -1.0009770 -2.7862130 -5.8869540
0.2358480 0.0674260 0.1476650 0.5158270 -1.0597320 2.8600090 1.2584620
0.1111810 0.0045690 0.4461360 0.5958240 0.9144500 -0.4498560 1.5587300
0.0515630 0.0010030 0.4517640 0.1163270 0.3787070 -0.6745750 -1.4244990
Re P
0.0235420 1.0000000
Re D
35.7309000 0.0000990 -0.0000910 0.0001730 0.0006500 -0.0019430
16.0515000 -0.0015020 0.0014570 -0.0003060 -0.0067020 0.0120540
9.9659100 0.0122100 -0.0130710 -0.0147100 0.0371030 0.0105860
5.0281700 -0.0671390 0.0758260 0.1185220 -0.1942700 -0.2881360
1.7427600 0.1216760 -0.1508580 -0.3719350 0.7473670 2.5644120
1.0452000 0.2158010 -0.3139560 -0.5457170 0.8063190 -2.7590000
0.6077840 0.2894700 -0.3290430 0.0674260 -1.9285380 -0.6513700
0.3294000 0.2946000 0.0602180 0.8900820 0.1008470 2.7968950
0.1679870 0.2175370 0.4784460 0.1737840 1.3672990 -1.8294110
0.0816530 0.1022850 0.4104690 -0.6452820 -0.5654600 -0.0374110
Re D
0.0372670 1.0000000
Re F
1.4757000 1.0000000
Re F
0.6895000 1.0000000
Re F
0.3222000 1.0000000
Re F
0.1505000 1.0000000
Re G
1.7301000 1.0000000
Re G
0.7095000 1.0000000
Re G
0.2909000 1.0000000
Re H
1.3434000 1.0000000
Re H
0.5023000 1.0000000
Re I
1.0694000 1.0000000
end
basis "Os_cc-pV5Z-PP" SPHERICAL
Os S
227.2160000 -0.0000080 -0.0000010 0.0000110 0.0000570 0.0003020 0.0022710
88.9180000 0.0006500 -0.0001530 -0.0004860 -0.0005270 -0.0046580 -0.0383040
55.3980000 -0.0057630 0.0016120 0.0038370 -0.0002760 0.0171120 0.1614460
34.5047000 0.0395840 -0.0123980 -0.0252950 0.0237580 -0.0161720 -0.3854960
21.5498000 -0.1899940 0.0631760 0.1232880 -0.1612420 -0.1164320 0.5500720
13.3429000 0.4393550 -0.1520640 -0.2967180 0.4238590 0.4081330 -0.5047640
7.2939800 -0.2162190 0.0829460 0.1764350 -0.2128580 0.1057120 2.4002110
4.4707900 -0.6369810 0.2314950 0.4257760 -0.8411380 -2.0385030 -8.2280540
2.5034400 -0.0856790 0.0334930 0.1812150 -0.3547180 -0.1832490 11.7973900
1.5041300 0.5520460 -0.2523020 -0.7732490 2.5012250 8.8048900 -0.0520600
0.8808490 0.5880240 -0.3237270 -0.9496670 1.5206040 -10.0151690 -19.9171480
0.5112780 0.2614560 -0.2363270 -0.0491560 -4.7077430 -0.2302100 25.5954690
0.2785370 0.0386370 0.0729300 1.7480150 0.5173180 7.0274320 -15.0580250
0.1317160 0.0025830 0.4772580 0.4745020 2.8011500 -4.7555670 3.5673590
0.0626290 0.0009850 0.5415620 -1.0206450 -1.0530940 0.3846600 1.5404740
Os S
0.0295780 1.0000000
Os P
50.5874000 -0.0001780 0.0000520 0.0000480 0.0004710 0.0058520 0.0287000
31.5906000 0.0031850 -0.0009170 -0.0014300 -0.0005060 -0.0273330 -0.1526390
19.7305000 -0.0284180 0.0083100 0.0145560 -0.0165620 0.0473740 0.4666400
12.3248000 0.1191540 -0.0357720 -0.0644830 0.0954490 0.0133890 -1.0736960
7.6982400 -0.1170170 0.0376310 0.0678250 -0.0949800 0.0414600 1.4665880
4.7632200 -0.2175890 0.0635160 0.1188800 -0.2453950 -0.6358230 -0.3475880
1.6802200 0.3609010 -0.1247100 -0.2396480 0.6373810 2.5600610 -4.4515830
0.9331860 0.4826620 -0.1901510 -0.3999740 0.8797360 -1.6019820 8.6243800
0.4989040 0.2839670 -0.1125450 -0.1150490 -1.2780900 -2.0350280 -7.2754890
0.2484490 0.0632460 0.1468150 0.5925270 -0.7832380 2.8242020 2.7515100
0.1156230 0.0042670 0.4354470 0.5415260 0.9608010 -0.7670580 0.5647000
0.0529260 0.0008460 0.4550710 0.0798220 0.2828430 -0.5063300 -1.0633800
Os P
0.0238640 1.0000000
Os D
34.7251000 0.0001770 -0.0002550 -0.0003770 0.0030890 0.0092970
18.4921000 -0.0014600 0.0018950 0.0026750 -0.0175070 -0.0443470
11.5470000 0.0090810 -0.0109550 -0.0165250 0.0492840 0.0482340
5.3023800 -0.0626140 0.0761900 0.1264650 -0.2305210 0.2227540
1.8076600 0.1422720 -0.1919640 -0.4975880 1.2697920 -3.0458800
1.0508200 0.2494720 -0.4022390 -0.6159520 -0.0744860 4.8903840
0.5992150 0.2973920 -0.2705850 0.5117290 -2.0270440 -2.3993660
0.3269350 0.2744110 0.2026700 0.8300070 1.1913850 -1.0524210
0.1699930 0.1905300 0.4974950 -0.1728380 0.7435960 1.8297370
0.0845740 0.0850110 0.3210020 -0.5995710 -0.6930140 -0.4714890
Os D
0.0394930 1.0000000
Os F
1.6402000 1.0000000
Os F
0.7838000 1.0000000
Os F
0.3746000 1.0000000
Os F
0.1790000 1.0000000
Os G
1.9370000 1.0000000
Os G
0.8085000 1.0000000
Os G
0.3375000 1.0000000
Os H
1.5067000 1.0000000
Os H
0.5777000 1.0000000
Os I
1.2206000 1.0000000
end
basis "Ir_cc-pV5Z-PP" SPHERICAL
Ir S
361.1680000 0.0000040 -0.0000030 -0.0000120 -0.0000430 0.0001580 0.0008230
95.8674000 0.0004220 -0.0001010 0.0000220 0.0009120 -0.0045610 -0.0264250
59.8527000 -0.0040300 0.0011370 0.0011840 -0.0024220 0.0190690 0.1204600
36.8252000 0.0307260 -0.0097400 -0.0162530 -0.0123750 -0.0278300 -0.3013830
23.0133000 -0.1493440 0.0502470 0.0943350 0.1191320 -0.0770850 0.4065180
13.6810000 0.3885650 -0.1366010 -0.2669410 -0.3734900 0.3776980 -0.3126660
7.2456100 -0.2202300 0.0874040 0.1671060 0.1842790 0.2467920 2.5994090
4.5281600 -0.6578940 0.2420290 0.5184990 0.9847650 -2.9518890 -10.1706390
2.4987800 -0.0279080 0.0058910 0.0818770 0.3903310 1.7915660 19.6716040
1.5530900 0.5449680 -0.2514300 -0.7655880 -3.3148990 8.4440360 -12.5903850
0.9423020 0.5678570 -0.3171260 -1.1753020 -0.6367640 -12.7502280 -9.0398800
0.5460880 0.2781940 -0.2305500 0.4390200 4.7062010 3.6778990 18.1973900
0.2707930 0.0345870 0.0921320 1.6679210 -1.2718210 4.6672140 -13.0305380
0.1347530 0.0006840 0.4742620 0.1623000 -2.2196150 -4.5177760 5.0367020
0.0645530 0.0017070 0.5251200 -0.9114440 1.0516060 0.5860350 0.6544030
Ir S
0.0305960 1.0000000
Ir P
53.1489000 -0.0001030 0.0000390 -0.0000300 -0.0011260 0.0046160 0.0465730
33.1807000 0.0025820 -0.0008160 -0.0010390 0.0040110 -0.0212600 -0.2446060
20.7203000 -0.0250280 0.0077660 0.0137040 0.0061050 0.0324680 0.7206110
12.9411000 0.1092320 -0.0345780 -0.0653110 -0.0757750 0.0409210 -1.5722170
8.0825100 -0.1054160 0.0360390 0.0677430 0.0665900 0.0091310 2.1856100
4.9702700 -0.2259200 0.0691030 0.1416070 0.2985190 -0.6754230 -0.9564670
1.7771000 0.3652150 -0.1335600 -0.2919340 -0.8076210 3.0768790 -4.1001950
0.9950100 0.4810560 -0.1988110 -0.4527000 -0.7711620 -2.6418560 8.7850890
0.5365460 0.2820320 -0.1141680 -0.0364810 1.4513640 -1.2075110 -8.0886650
0.2710670 0.0645840 0.1535450 0.6228330 0.5601930 2.5945410 3.5879200
0.1272520 0.0048890 0.4405510 0.4918100 -0.9311020 -0.8176030 0.1045200
0.0586070 0.0007820 0.4502280 0.0711760 -0.2665940 -0.4631340 -0.8912610
Ir P
0.0264540 1.0000000
Ir D
43.8130000 0.0001190 -0.0001920 0.0006010 0.0019920 0.0066070
19.8991000 -0.0011270 0.0016040 -0.0044620 -0.0144700 -0.0416800
12.4262000 0.0081710 -0.0098070 0.0187110 0.0443120 0.0540540
5.6402700 -0.0616520 0.0722610 -0.1203430 -0.2210940 0.1831770
1.8794500 0.1618800 -0.2126390 0.5070940 1.3855020 -2.8487810
1.0692500 0.2756330 -0.4143280 0.5686510 -0.4492360 4.7681860
0.5995540 0.3042190 -0.2072930 -0.5572300 -1.6111680 -2.6811700
0.3259080 0.2590940 0.2166400 -0.7057520 1.0072380 -0.6021470
0.1707020 0.1672860 0.4503280 0.0897640 0.7000400 1.4415890
0.0861840 0.0688650 0.3260470 0.5713880 -0.5103520 -0.1580950
Ir D
0.0410370 1.0000000
Ir F
1.8012000 1.0000000
Ir F
0.8781000 1.0000000
Ir F
0.4281000 1.0000000
Ir F
0.2087000 1.0000000
Ir G
2.1503000 1.0000000
Ir G
0.9139000 1.0000000
Ir G
0.3884000 1.0000000
Ir H
1.6762000 1.0000000
Ir H
0.6562000 1.0000000
Ir I
1.3796000 1.0000000
end
basis "Pt_cc-pV5Z-PP" SPHERICAL
Pt S
413.6000000 0.0000060 -0.0000030 -0.0000090 -0.0000230 0.0001010 0.0007230
103.5350000 0.0004160 -0.0001160 -0.0001020 0.0001920 -0.0028110 -0.0245520
64.1243000 -0.0038720 0.0011680 0.0016960 0.0006930 0.0117530 0.1165430
39.8615000 0.0264020 -0.0085740 -0.0155390 -0.0173180 -0.0121690 -0.2862430
24.7987000 -0.1193560 0.0407120 0.0798540 0.1061720 -0.0757860 0.3824860
13.9302000 0.3575240 -0.1279210 -0.2597120 -0.3657080 0.3634740 -0.4129910
7.8013800 -0.1644950 0.0692260 0.1412320 0.1730430 0.2182630 2.9730610
4.8699100 -0.6967770 0.2586680 0.5472760 0.9047650 -2.5719310 -10.5360960
2.7428100 -0.0777230 0.0219490 0.1708990 0.7788370 0.7049640 17.8678350
1.7119200 0.5375150 -0.2466890 -0.8336090 -3.6748070 8.4353250 -8.5137410
1.0158000 0.6169060 -0.3419970 -1.2372210 -0.2814290 -10.7771740 -10.8888750
0.5725730 0.2761470 -0.2239690 0.5347410 4.3832080 2.0354810 16.9161650
0.2878640 0.0315070 0.0985710 1.6196050 -1.3107940 4.8458390 -10.5173940
0.1415920 0.0018730 0.4687040 0.0999360 -2.0136030 -3.8200850 2.4231110
0.0675100 0.0015970 0.5216110 -0.8380750 0.8160260 -0.1992670 2.1083970
Pt S
0.0318870 1.0000000
Pt P
393.3780000 0.0000050 -0.0000010 -0.0000040 -0.0000200 0.0000310 -0.0005760
34.4003000 0.0019530 -0.0005970 -0.0010070 0.0006900 -0.0011490 0.1051820
21.4843000 -0.0225700 0.0067220 0.0133030 0.0096580 -0.0147660 -0.5513360
13.4194000 0.1043340 -0.0315200 -0.0659420 -0.0763270 0.1225100 1.5580790
8.3804900 -0.1002180 0.0334640 0.0680320 0.0588180 -0.0880640 -2.4882440
5.1899400 -0.2322400 0.0654460 0.1546200 0.3278770 -0.6398770 1.3706840
1.8586300 0.3832730 -0.1329850 -0.3345030 -0.9464050 3.3651140 3.5240310
1.0315300 0.4888420 -0.1837780 -0.4867300 -0.6305640 -3.4776510 -8.2203150
0.5492050 0.2701700 -0.0979100 0.0680490 1.6323920 -0.2409940 8.1974080
0.2700570 0.0549560 0.1553100 0.6768730 0.2341700 2.2262310 -4.3726250
0.1241700 0.0032310 0.4305860 0.4130540 -0.9225510 -1.0132520 0.7179430
0.0562650 0.0007140 0.4499480 0.0407020 -0.1668600 -0.3037430 0.5610450
Pt P
0.0251200 1.0000000
Pt D
58.1968000 0.0000860 -0.0001370 0.0004750 0.0008940 0.0057080
20.2554000 -0.0006670 0.0010940 -0.0045800 -0.0093280 -0.0592650
12.6079000 0.0076160 -0.0095830 0.0208790 0.0388740 0.1047510
5.8790400 -0.0613110 0.0753300 -0.1273270 -0.2284820 0.1049320
1.9818600 0.1725670 -0.2469430 0.5802830 1.6233820 -2.8794460
1.1232200 0.2879770 -0.4422110 0.5251810 -0.9640830 5.3285780
0.6296090 0.3035360 -0.1577800 -0.7014920 -1.3247310 -3.7713170
0.3455230 0.2480300 0.2625890 -0.6187960 1.1506530 0.2708710
0.1837110 0.1567080 0.4399190 0.1625180 0.5492260 1.1748770
0.0939850 0.0638530 0.2968390 0.5585850 -0.5367150 -0.1838840
Pt D
0.0451010 1.0000000
Pt F
1.9666000 1.0000000
Pt F
0.9739000 1.0000000
Pt F
0.4823000 1.0000000
Pt F
0.2388000 1.0000000
Pt G
2.3675000 1.0000000
Pt G
1.0229000 1.0000000
Pt G
0.4419000 1.0000000
Pt H
1.8436000 1.0000000
Pt H
0.7332000 1.0000000
Pt I
1.5370000 1.0000000
end
basis "Au_cc-pV5Z-PP" SPHERICAL
Au S
2324.0400000 0.0000030 -0.0000010 0.0000010 -0.0000090 0.0000200 0.0004160
917.0200000 0.0000070 -0.0000020 -0.0000140 0.0000410 -0.0000340 -0.0011660
99.3091000 0.0007340 -0.0002580 0.0002500 -0.0020850 0.0040870 0.0936780
61.7576000 -0.0058780 0.0019860 -0.0001510 0.0096910 -0.0226460 -0.4949870
38.3722000 0.0385850 -0.0129440 -0.0138720 -0.0093610 0.0858390 1.4412710
23.9629000 -0.1865180 0.0639630 0.1050350 -0.0861150 -0.2978880 -2.9997630
14.8518000 0.4461470 -0.1584020 -0.2897480 0.3172260 0.6630540 4.5126530
7.9748000 -0.2767230 0.1115380 0.1796510 -0.0933720 -0.3769950 -5.6937090
4.7979000 -0.6689850 0.2433180 0.5943520 -1.1703940 -1.7399470 2.4951180
1.7624500 0.5133410 -0.2557840 -0.7488720 2.5650190 8.4493490 12.9078360
1.0927300 0.5929010 -0.3014930 -1.1281840 1.0641460 -8.5698740 -27.4768700
0.6305580 0.2922540 -0.2435690 0.3356590 -4.0684610 -1.1404380 23.5667430
0.3220500 0.0368020 0.0919910 1.5685050 0.4163440 5.7154930 -10.0647980
0.1500280 0.0018270 0.4686120 0.2609500 2.2127530 -2.7155450 0.4894190
0.0707590 0.0017390 0.5189930 -0.7758610 -0.4168730 -1.2377560 2.9837850
Au S
0.0333870 1.0000000
Au P
328.7810000 0.0000100 -0.0000030 -0.0000100 -0.0000250 0.0000590 -0.0005040
34.4634000 0.0021880 -0.0006050 -0.0008980 -0.0001830 -0.0023740 0.0721520
21.5245000 -0.0247150 0.0070450 0.0131860 0.0148010 -0.0097520 -0.3918880
13.4462000 0.1189910 -0.0351680 -0.0709570 -0.0986940 0.1231730 1.1926390
8.3993700 -0.1383110 0.0440350 0.0869630 0.1097700 -0.1055430 -1.9979090
5.2105900 -0.2161190 0.0615980 0.1454040 0.3092700 -0.7086340 0.8884800
2.0397000 0.3448980 -0.1214490 -0.2952900 -0.8356210 3.3577160 4.5723960
1.1690300 0.4866170 -0.1779290 -0.4670080 -0.8317760 -2.8092060 -9.4113300
0.6362200 0.2999080 -0.1200270 -0.0675000 1.4766380 -1.2280120 8.2266020
0.3221190 0.0712870 0.1180530 0.6517920 0.5536050 2.5200060 -3.4028110
0.1443720 0.0052310 0.4178910 0.4987270 -0.9377790 -0.7479720 -0.2106510
0.0637590 0.0005760 0.4778420 0.0579680 -0.2393930 -0.4731810 0.9266450
Au P
0.0277220 1.0000000
Au D
62.0309000 0.0000860 -0.0001590 0.0005970 0.0005220 0.0066450
21.0988000 -0.0007960 0.0014750 -0.0065350 -0.0063810 -0.0728300
13.1200000 0.0091360 -0.0128510 0.0294950 0.0389850 0.1334930
6.3125700 -0.0663010 0.0909690 -0.1581000 -0.2607860 0.1136240
2.1414500 0.1655630 -0.2740770 0.6914270 2.0352880 -3.8897240
1.2993700 0.2414410 -0.4448840 0.5919970 -1.3991200 7.9048990
0.8103580 0.2710220 -0.2023240 -0.7766420 -1.4153190 -5.6743970
0.4727070 0.2680130 0.2203780 -0.7384040 1.1668610 0.4856670
0.2556480 0.1868750 0.4855030 0.1831700 0.7703110 1.2298520
0.1308950 0.0813140 0.3016470 0.5878850 -0.6531500 -0.0718890
Au D
0.0627790 1.0000000
Au F
2.3078000 1.0000000
Au F
1.1338000 1.0000000
Au F
0.5571000 1.0000000
Au F
0.2737000 1.0000000
Au G
2.5570000 1.0000000
Au G
1.1302000 1.0000000
Au G
0.4996000 1.0000000
Au H
2.0148000 1.0000000
Au H
0.8107000 1.0000000
Au I
1.6822000 1.0000000
end
basis "Hg_cc-pV5Z-PP" SPHERICAL
Hg S
24256.2000000 0.0000030 -0.0000010 -0.0000020 -0.0000020 0.0000060 0.0000370
3773.4800000 0.0000180 -0.0000070 -0.0000170 -0.0000310 0.0000200 -0.0002500
899.9870000 0.0000790 -0.0000290 -0.0000590 -0.0000380 0.0002590 0.0023360
252.0940000 0.0002410 -0.0000970 -0.0002570 -0.0005310 0.0000910 -0.0071530
34.3579000 0.0149450 -0.0049950 -0.0089590 -0.0002660 0.0479380 0.5499930
21.3757000 -0.1402310 0.0491500 0.0993720 0.0731990 -0.3555650 -2.9698880
13.3011000 0.4915750 -0.1827300 -0.3892820 -0.3664980 1.2352560 8.4001390
8.2431100 -0.3623860 0.1565560 0.3190820 0.1094650 -1.2614050 -13.2880990
4.9065100 -0.6738120 0.2414620 0.6496910 1.5137210 -1.8952780 9.4759520
1.9632300 0.4542010 -0.2299770 -0.7945380 -3.2985820 12.3238010 4.2099070
1.2039600 0.6644760 -0.3456990 -1.4060670 -0.8118000 -16.1789660 -18.5514760
0.6707910 0.3089550 -0.2495710 0.6675340 5.2250350 5.7670460 22.5058300
0.3304660 0.0321810 0.1161800 1.7043280 -2.1531590 3.3827640 -16.4322810
0.1568260 -0.0000440 0.4871720 -0.1245670 -1.7372880 -4.6070450 8.4903940
0.0736300 0.0003260 0.5069390 -0.8011920 1.2073990 1.4773980 -2.0261440
Hg S
0.0344940 1.0000000
Hg P
288.3090000 0.0000210 -0.0000060 -0.0000160 0.0000400 -0.0000840 0.0007530
36.9924000 0.0018080 -0.0004730 -0.0008160 0.0002120 0.0012770 -0.0668820
22.7990000 -0.0173540 0.0047100 0.0092200 -0.0101090 0.0088120 0.3141000
13.0084000 0.1210320 -0.0345910 -0.0716170 0.1037390 -0.1473780 -1.1946480
8.1259700 -0.1882700 0.0577730 0.1189490 -0.1635530 0.2207080 2.4403600
5.0778000 -0.1876530 0.0499530 0.1172920 -0.2842960 0.6673770 -1.4844780
2.1721700 0.3651650 -0.1229220 -0.2895890 0.8632620 -3.3382180 -3.6799730
1.2037300 0.5184010 -0.1841060 -0.4859980 0.8006590 2.9409630 8.1501310
0.6327000 0.2812800 -0.0998690 0.0129370 -1.6073300 0.7752990 -7.6441180
0.3046780 0.0517170 0.1448820 0.6697570 -0.3404670 -2.3927820 3.8692040
0.1378950 0.0024510 0.4229010 0.4412980 0.9449840 1.0171480 -0.5225200
0.0613020 0.0007250 0.4578930 0.0470940 0.1575370 0.3120220 -0.6150040
Hg P
0.0269050 1.0000000
Hg D
154.4910000 0.0000180 0.0000040 0.0001880 0.0006730 0.0060650
37.9614000 0.0003490 -0.0011470 -0.0058490 -0.0124050 -0.1324840
23.3802000 -0.0014990 0.0042700 0.0211390 0.0394630 0.4485970
14.3727000 0.0093000 -0.0161490 -0.0471680 -0.0309370 -0.6302650
6.6541500 -0.0667360 0.1016560 0.1905930 -0.1963830 0.4723660
2.2020300 0.2007360 -0.3968020 -1.0589730 2.4360170 1.9586280
1.2220700 0.3346350 -0.5537970 -0.0180850 -3.4313870 -5.3396920
0.6600980 0.3302200 0.1165630 1.3513820 1.1267870 6.6326640
0.3460210 0.2287980 0.5310330 -0.2038810 1.1238320 -4.7620760
0.1747850 0.1025690 0.3419080 -0.6419630 -0.8229660 1.5787430
Hg D
0.0831130 1.0000000
Hg F
2.5850000 1.0000000
Hg F
1.2745000 1.0000000
Hg F
0.6284000 1.0000000
Hg F
0.3098000 1.0000000
Hg G
2.8458000 1.0000000
Hg G
1.2668000 1.0000000
Hg G
0.5639000 1.0000000
Hg H
2.1886000 1.0000000
Hg H
0.8884000 1.0000000
Hg I
1.8261000 1.0000000
end
basis "Tl_cc-pV5Z-PP" SPHERICAL
Tl S
24779.2000000 0.0000020 0.0000010
4291.5900000 0.0000140 0.0000060
1100.5600000 0.0000640 0.0000240
301.3150000 0.0002190 0.0001000
33.6611000 0.0216670 0.0074740
21.0398000 -0.1981520 -0.0732470
13.1518000 0.6902620 0.2725540
8.2204900 -0.6242260 -0.2751310
4.8960100 -0.6028630 -0.2303460
2.0188000 0.5829170 0.3044120
1.1647400 0.6744600 0.4276890
Tl S
0.6402480 1.0000000
Tl S
0.3292660 1.0000000
Tl S
0.1685090 1.0000000
Tl S
0.0836670 1.0000000
Tl S
0.0397310 1.0000000
Tl P
238.8160000 0.0000550 -0.0000160
33.7189000 0.0031600 -0.0006410
21.0738000 -0.0278660 0.0062120
13.1714000 0.1259630 -0.0306000
6.9298400 -0.3211460 0.0856170
4.3311200 -0.0566560 0.0064970
2.1490400 0.4499920 -0.1295200
1.1560700 0.5213450 -0.1654470
Tl P
0.5955190 1.0000000
Tl P
0.2689230 1.0000000
Tl P
0.1217440 1.0000000
Tl P
0.0541370 1.0000000
Tl P
0.0238510 1.0000000
Tl D
359.9200000 0.0000040
141.7010000 0.0000280
51.3298000 0.0002060
10.5875000 0.0197440
6.4543600 -0.0905470
2.4050100 0.1826240
1.4472400 0.2889170
0.8698190 0.3047840
Tl D
0.5052270 1.0000000
Tl D
0.2783030 1.0000000
Tl D
0.1438170 1.0000000
Tl D
0.0620000 1.0000000
Tl F
0.5080000 1.0000000
Tl F
0.2518000 1.0000000
Tl F
0.1248000 1.0000000
Tl G
0.5124000 1.0000000
Tl G
0.2420000 1.0000000
Tl H
0.4583000 1.0000000
end
basis "Pb_cc-pV5Z-PP" SPHERICAL
Pb S
24689.5000000 0.0000040 0.0000020
4473.2300000 0.0000230 0.0000110
1061.6600000 0.0001140 0.0000470
279.2390000 0.0003680 0.0001790
34.7542000 0.0230860 0.0084660
21.7097000 -0.2044980 -0.0804050
13.5637000 0.7125610 0.3008160
8.4734700 -0.6539600 -0.3110180
5.1195600 -0.6010240 -0.2413340
2.1199600 0.5864660 0.3276360
1.2552900 0.6575120 0.4519120
Pb S
0.7202840 1.0000000
Pb S
0.3778020 1.0000000
Pb S
0.1976990 1.0000000
Pb S
0.0986230 1.0000000
Pb S
0.0470370 1.0000000
Pb P
240.5890000 0.0000700 -0.0000240
39.7768000 0.0015640 -0.0003750
20.4279000 -0.0264930 0.0070140
12.7405000 0.1588410 -0.0458000
7.5519000 -0.3274080 0.1031770
4.7200300 -0.1057490 0.0213640
2.3715200 0.4192430 -0.1410220
1.2982400 0.5397190 -0.2019880
Pb P
0.6810700 1.0000000
Pb P
0.3176500 1.0000000
Pb P
0.1513980 1.0000000
Pb P
0.0703100 1.0000000
Pb P
0.0318450 1.0000000
Pb D
345.3720000 0.0000090
117.6440000 0.0000650
46.1653000 0.0003370
12.5614000 0.0114430
6.7103300 -0.0753070
2.5823000 0.1800080
1.5720800 0.2985180
0.9394450 0.3215610
Pb D
0.5416330 1.0000000
Pb D
0.3005880 1.0000000
Pb D
0.1597120 1.0000000
Pb D
0.0726000 1.0000000
Pb F
0.5329000 1.0000000
Pb F
0.2677000 1.0000000
Pb F
0.1345000 1.0000000
Pb G
0.5368000 1.0000000
Pb G
0.2550000 1.0000000
Pb H
0.4831000 1.0000000
end
basis "Bi_cc-pV5Z-PP" SPHERICAL
Bi S
26111.4000000 0.0000070 -0.0000030
3868.0900000 0.0000520 -0.0000260
869.4990000 0.0002450 -0.0001150
238.7410000 0.0006630 -0.0003420
36.6745000 0.0211220 -0.0083840
22.9129000 -0.1819260 0.0766690
14.3185000 0.6347220 -0.2880390
8.9484800 -0.5465570 0.2856240
5.2606800 -0.7303930 0.3183520
3.1208900 0.2672950 -0.1487960
1.7055600 0.8380310 -0.5500530
Bi S
0.9284240 1.0000000
Bi S
0.4337070 1.0000000
Bi S
0.2386830 1.0000000
Bi S
0.1202630 1.0000000
Bi S
0.0577550 1.0000000
Bi P
267.3460000 0.0000840 -0.0000310
50.0862000 0.0009300 -0.0002620
20.5562000 -0.0243210 0.0072640
12.8441000 0.1731620 -0.0564200
8.0272800 -0.3326240 0.1186900
5.0173400 -0.1218380 0.0274020
2.5056800 0.4228110 -0.1597200
1.3820500 0.5453330 -0.2315390
Bi P
0.7339630 1.0000000
Bi P
0.3494940 1.0000000
Bi P
0.1712190 1.0000000
Bi P
0.0821660 1.0000000
Bi P
0.0383820 1.0000000
Bi D
174.9150000 0.0000580
51.9301000 0.0004330
13.6852000 0.0103670
6.8874300 -0.0777290
4.1825000 0.0106610
2.6122700 0.2111050
1.5458400 0.3425200
0.8937710 0.3300380
Bi D
0.5018990 1.0000000
Bi D
0.2723090 1.0000000
Bi D
0.1484480 1.0000000
Bi D
0.0788000 1.0000000
Bi F
0.5654000 1.0000000
Bi F
0.2937000 1.0000000
Bi F
0.1525000 1.0000000
Bi G
0.5762000 1.0000000
Bi G
0.2802000 1.0000000
Bi H
0.5223000 1.0000000
end
basis "Po_cc-pV5Z-PP" SPHERICAL
Po S
24093.4000000 0.0000140 -0.0000070
3632.1700000 0.0001030 -0.0000550
822.3080000 0.0004690 -0.0002430
227.4720000 0.0012100 -0.0006680
38.3868000 0.0224960 -0.0096130
23.9396000 -0.1768370 0.0786800
14.7926000 0.6262920 -0.3009170
9.2393100 -0.5346900 0.3021880
5.5759400 -0.7302180 0.3263160
3.2541200 0.2305460 -0.1338620
1.8347100 0.8404390 -0.5836760
Po S
1.0106300 1.0000000
Po S
0.4702110 1.0000000
Po S
0.2606210 1.0000000
Po S
0.1321390 1.0000000
Po S
0.0631820 1.0000000
Po P
300.3270000 0.0000980 -0.0000390
59.9384000 0.0007980 -0.0002510
21.0811000 -0.0223260 0.0070940
13.1688000 0.1717270 -0.0603580
8.2240900 -0.3464910 0.1344540
5.1369000 -0.1101690 0.0228340
2.6029200 0.4385830 -0.1790820
1.4465300 0.5437050 -0.2575900
Po P
0.7783430 1.0000000
Po P
0.3785540 1.0000000
Po P
0.1850400 1.0000000
Po P
0.0884920 1.0000000
Po P
0.0412740 1.0000000
Po D
174.4440000 0.0000790
52.2233000 0.0005800
14.5970000 0.0100390
7.0593700 -0.0800950
4.3570700 0.0199620
2.7184400 0.2167420
1.6501100 0.3354280
0.9858520 0.3198530
Po D
0.5725360 1.0000000
Po D
0.3236310 1.0000000
Po D
0.1852220 1.0000000
Po D
0.0915000 1.0000000
Po F
0.5912000 1.0000000
Po F
0.3063000 1.0000000
Po F
0.1587000 1.0000000
Po G
0.5800000 1.0000000
Po G
0.2738000 1.0000000
Po H
0.5070000 1.0000000
end
basis "At_cc-pV5Z-PP" SPHERICAL
At S
26533.4000000 0.0000090 -0.0000050
3957.8600000 0.0000710 -0.0000390
892.4600000 0.0003240 -0.0001700
245.3390000 0.0008230 -0.0004660
39.2694000 0.0191060 -0.0082220
24.4820000 -0.1706520 0.0784400
15.2914000 0.6242990 -0.3122490
9.5451100 -0.5482790 0.3244810
5.7515200 -0.7499610 0.3473100
3.5158900 0.2444150 -0.1448050
1.9380100 0.8604720 -0.6300520
At S
1.0751200 1.0000000
At S
0.5125820 1.0000000
At S
0.2799900 1.0000000
At S
0.1424200 1.0000000
At S
0.0682950 1.0000000
At P
328.9750000 0.0001180 -0.0000510
69.3728000 0.0008030 -0.0002800
21.6799000 -0.0203320 0.0067640
13.5451000 0.1681760 -0.0631320
8.4637200 -0.3521700 0.1472460
5.2876300 -0.1046990 0.0201990
2.7272200 0.4428480 -0.1946720
1.5366300 0.5407520 -0.2793810
At P
0.8423330 1.0000000
At P
0.4220430 1.0000000
At P
0.2090570 1.0000000
At P
0.1006150 1.0000000
At P
0.0469200 1.0000000
At D
180.1330000 0.0001010
53.4782000 0.0007500
15.4735000 0.0100230
7.1490000 -0.0856100
4.4604700 0.0377150
2.7588100 0.2315430
1.7221100 0.3222190
1.0707400 0.3038550
At D
0.6403180 1.0000000
At D
0.3662910 1.0000000
At D
0.2051390 1.0000000
At D
0.1017000 1.0000000
At F
0.6331000 1.0000000
At F
0.3439000 1.0000000
At F
0.1868000 1.0000000
At G
0.6184000 1.0000000
At G
0.2983000 1.0000000
At H
0.5419000 1.0000000
end
basis "Rn_cc-pV5Z-PP" SPHERICAL
Rn S
30127.1000000 0.0000160 -0.0000090
4530.1400000 0.0001220 -0.0000720
1029.7900000 0.0005590 -0.0003220
286.3910000 0.0014970 -0.0009080
65.2693000 0.0045550 -0.0022830
25.2287000 -0.1090850 0.0539020
15.7590000 0.5170670 -0.2771330
9.8436800 -0.4760410 0.3097650
6.0108400 -0.7241700 0.3468490
3.1828000 0.3018500 -0.2081180
1.9239900 0.8301260 -0.6536280
Rn S
1.0941600 1.0000000
Rn S
0.5385400 1.0000000
Rn S
0.2864980 1.0000000
Rn S
0.1474430 1.0000000
Rn S
0.0720380 1.0000000
Rn P
355.9650000 0.0001420 -0.0000640
77.6233000 0.0008820 -0.0003340
22.2008000 -0.0189140 0.0063940
13.8732000 0.1684280 -0.0661310
8.6706300 -0.3682600 0.1624850
5.4171300 -0.0886670 0.0119280
2.8000500 0.4718560 -0.2198970
1.5780700 0.5371120 -0.2998260
Rn P
0.8689520 1.0000000
Rn P
0.4447990 1.0000000
Rn P
0.2228420 1.0000000
Rn P
0.1088390 1.0000000
Rn P
0.0514910 1.0000000
Rn D
180.8880000 0.0001330
53.8241000 0.0009720
16.1471000 0.0106480
7.4060200 -0.0853360
4.6258700 0.0400760
2.8680400 0.2559490
1.7145200 0.3777430
1.0040200 0.3027090
Rn D
0.5918640 1.0000000
Rn D
0.3663050 1.0000000
Rn D
0.2265360 1.0000000
Rn D
0.1222000 1.0000000
Rn F
0.6669000 1.0000000
Rn F
0.3861000 1.0000000
Rn F
0.2235000 1.0000000
Rn G
0.6682000 1.0000000
Rn G
0.3280000 1.0000000
Rn H
0.5901000 1.0000000
end
ASSOCIATED_ECP "stuttgart-koeln_mcdhf_rsc_ecp"
# ELEMENTS REFERENCES
# --------- ----------
# O: B. Metz and H. Stoll, private communication (KAP)
# Tl: B. Metz, M. Schweizer, H. Stoll, M. Dolg, W. Liu, Theor. Chem. Acc. 104, 22 (2000).
# Ga-As, In-Sb, Pb-Bi: B. Metz, H. Stoll, M. Dolg, J. Chem. Phys. 113, 2563 (2000).
# Se-Kr, Te-Xe, Po-Rn: K.A. Peterson, D. Figgen, E. Goll, H. Stoll, and M. Dolg, J. Chem. Phys., in press (2003).
# Cu, Zn, Ag, Cd, Au, Hg: D. Figgen, G. Rauhut, M. Dolg, and H. Stoll, Chem. Phys. 311, 227 (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).
# I: K. A. Peterson, B. C. Shepler, D. Figgen, H. Stoll, On the spectroscopic and thermochemical properties of ClO, BrO, IO, and their anions, Journal of Physical Chemistry A 110, 13877 (2006).
# Hf Ta W Re Os Ir Pt: D. Figgen, K.A. Peterson, M. Dolg, and H. Stoll, Energy-consistent pseudopotentials and correlation consistent basis sets for the 5d elements Hf-Pt, Journal of Chemical Physics 130, 164108 (2009).
#
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