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# Elements References
# -------- ----------
# H - Ne: W.J. Hehre, R.F. Stewart and J.A. Pople, J. Chem. Phys. 2657 (1969).
# Na - Ar: W.J. Hehre, R. Ditchfield, R.F. Stewart, J.A. Pople,
# J. Chem. Phys. 2769 (1970).
# K,Ca - : W.J. Pietro, B.A. Levy, W.J. Hehre and R.F. Stewart,
# Ga - Kr: J. Am. Chem. Soc. 19, 2225 (1980).
# Sc - Zn: W.J. Pietro and W.J. Hehre, J. Comp. Chem. 4, 241 (1983) + Gaussian.
# Y - Cd: W.J. Pietro and W.J. Hehre, J. Comp. Chem. 4, 241 (1983). + Gaussian
#
basis "H_STO-3G" SPHERICAL
H S
3.42525091 0.15432897
0.62391373 0.53532814
0.16885540 0.44463454
end
basis "He_STO-3G" SPHERICAL
He S
6.36242139 0.15432897
1.15892300 0.53532814
0.31364979 0.44463454
end
basis "Li_STO-3G" SPHERICAL
Li S
16.1195750 0.15432897
2.9362007 0.53532814
0.7946505 0.44463454
Li SP
0.6362897 -0.09996723 0.15591627
0.1478601 0.39951283 0.60768372
0.0480887 0.70011547 0.39195739
end
basis "Be_STO-3G" SPHERICAL
Be S
30.1678710 0.15432897
5.4951153 0.53532814
1.4871927 0.44463454
Be SP
1.3148331 -0.09996723 0.15591627
0.3055389 0.39951283 0.60768372
0.0993707 0.70011547 0.39195739
end
basis "B_STO-3G" SPHERICAL
B S
48.7911130 0.15432897
8.8873622 0.53532814
2.4052670 0.44463454
B SP
2.2369561 -0.09996723 0.15591627
0.5198205 0.39951283 0.60768372
0.1690618 0.70011547 0.39195739
end
basis "C_STO-3G" SPHERICAL
C S
71.6168370 0.15432897
13.0450960 0.53532814
3.5305122 0.44463454
C SP
2.9412494 -0.09996723 0.15591627
0.6834831 0.39951283 0.60768372
0.2222899 0.70011547 0.39195739
end
basis "N_STO-3G" SPHERICAL
N S
99.1061690 0.15432897
18.0523120 0.53532814
4.8856602 0.44463454
N SP
3.7804559 -0.09996723 0.15591627
0.8784966 0.39951283 0.60768372
0.2857144 0.70011547 0.39195739
end
basis "O_STO-3G" SPHERICAL
O S
130.7093200 0.15432897
23.8088610 0.53532814
6.4436083 0.44463454
O SP
5.0331513 -0.09996723 0.15591627
1.1695961 0.39951283 0.60768372
0.3803890 0.70011547 0.39195739
end
basis "F_STO-3G" SPHERICAL
F S
166.6791300 0.15432897
30.3608120 0.53532814
8.2168207 0.44463454
F SP
6.4648032 -0.09996723 0.15591627
1.5022812 0.39951283 0.60768372
0.4885885 0.70011547 0.39195739
end
basis "Ne_STO-3G" SPHERICAL
Ne S
207.0156100 0.15432897
37.7081510 0.53532814
10.2052970 0.44463454
Ne SP
8.2463151 -0.09996723 0.15591627
1.9162662 0.39951283 0.60768372
0.6232293 0.70011547 0.39195739
end
basis "Na_STO-3G" SPHERICAL
Na S
250.7724300 0.1543289673
45.6785110 0.5353281423
12.3623880 0.4446345422
Na SP
12.0401930 -0.09996722919 0.1559162750
2.7978819 0.39951282610 0.6076837186
0.9099580 0.70011546890 0.3919573931
Na SP
1.4787406 -0.2196203690 0.01058760429
0.4125649 0.2255954336 0.59516700530
0.1614751 0.9003984260 0.46200101200
end
basis "Mg_STO-3G" SPHERICAL
Mg S
299.2374000 0.1543289673
54.5064700 0.5353281423
14.7515800 0.4446345422
Mg SP
15.1218200 -0.09996722919 0.1559162750
3.5139870 0.39951282610 0.6076837186
1.1428570 0.70011546890 0.3919573931
Mg SP
1.3954480 -0.2196203690 0.01058760429
0.3893260 0.2255954336 0.59516700530
0.1523800 0.9003984260 0.46200101200
end
basis "Al_STO-3G" SPHERICAL
Al S
351.4214767 0.1543289673
64.01186067 0.5353281423
17.32410761 0.4446345422
Al SP
18.89939621 -0.09996722919 0.1559162750
4.391813233 0.39951282610 0.6076837186
1.428353970 0.70011546890 0.3919573931
Al SP
1.3954482930 -0.2196203690 0.01058760429
0.3893265318 0.2255954336 0.59516700530
0.1523797659 0.9003984260 0.46200101200
end
basis "Si_STO-3G" SPHERICAL
Si S
407.7975514 0.1543289673
74.28083305 0.5353281423
20.10329229 0.4446345422
Si SP
23.19365606 -0.09996722919 0.1559162750
5.389706871 0.39951282610 0.6076837186
1.752899952 0.70011546890 0.3919573931
Si SP
1.4787406220 -0.2196203690 0.01058760429
0.4125648801 0.2255954336 0.59516700530
0.1614750979 0.9003984260 0.46200101200
end
basis "P_STO-3G" SPHERICAL
P S
468.3656378 0.1543289673
85.31338559 0.5353281423
23.08913156 0.4446345422
P SP
28.03263958 -0.09996722919 0.1559162750
6.514182577 0.39951282610 0.6076837186
2.118614352 0.70011546890 0.3919573931
P SP
1.7431032310 -0.2196203690 0.01058760429
0.4863213771 0.2255954336 0.59516700530
0.1903428909 0.9003984260 0.46200101200
end
basis "S_STO-3G" SPHERICAL
S S
533.1257359 0.1543289673
97.10951830 0.5353281423
26.28162542 0.4446345422
S SP
33.32975173 -0.09996722919 0.1559162750
7.745117521 0.39951282610 0.6076837186
2.518952599 0.70011546890 0.3919573931
S SP
2.0291942740 -0.2196203690 0.01058760429
0.5661400518 0.2255954336 0.59516700530
0.2215833792 0.9003984260 0.46200101200
end
basis "Cl_STO-3G" SPHERICAL
Cl S
601.3456136 0.1543289673
109.5358542 0.5353281423
29.64467686 0.4446345422
Cl SP
38.96041889 -0.09996722919 0.1559162750
9.053563477 0.39951282610 0.6076837186
2.944499834 0.70011546890 0.3919573931
Cl SP
2.1293864950 -0.2196203690 0.01058760429
0.5940934274 0.2255954336 0.59516700530
0.2325241410 0.9003984260 0.46200101200
end
basis "Ar_STO-3G" SPHERICAL
Ar S
674.4465184 0.1543289673
122.8512753 0.5353281423
33.24834945 0.4446345422
Ar SP
45.16424392 -0.09996722919 0.1559162750
10.49519900 0.39951282610 0.6076837186
3.413364448 0.70011546890 0.3919573931
Ar SP
2.6213665180 -0.2196203690 0.01058760429
0.7313546050 0.2255954336 0.59516700530
0.2862472356 0.9003984260 0.46200101200
end
basis "K_STO-3G" SPHERICAL
K S
771.5103681 0.1543289673
140.5315766 0.5353281423
38.03332899 0.4446345422
K SP
52.40203979 -0.0999672292 0.1559162750
12.17710710 0.3995128261 0.6076837186
3.960373165 0.7001154689 0.3919573931
K SP
3.651583985 -0.2196203690 0.0105876043
1.018782663 0.2255954336 0.5951670053
0.3987446295 0.9003984260 0.4620010120
K SP
0.5039822505 -0.3088441215 -0.1215468600
0.1860011465 0.0196064117 0.5715227604
0.08214006743 1.1310344420 0.5498949471
end
basis "Ca_STO-3G" SPHERICAL
Ca S
854.0324951 0.1543289673
155.5630851 0.5353281423
42.10144179 0.4446345422
Ca SP
59.56029944 -0.0999672292 0.1559162750
13.84053270 0.3995128261 0.6076837186
4.501370797 0.7001154689 0.3919573931
Ca SP
4.374706256 -0.2196203690 0.0105876043
1.220531941 0.2255954336 0.5951670053
0.477707930 0.9003984260 0.4620010120
Ca SP
0.4558489757 -0.3088441215 -0.1215468600
0.1682369410 0.0196064117 0.5715227604
0.0742952070 1.1310344420 0.5498949471
end
basis "Sc_STO-3G" SPHERICAL
Sc S
941.6624250 0.1543289673
171.5249862 0.5353281423
46.42135516 0.4446345422
Sc SP
67.17668771 -0.0999672292 0.1559162750
15.61041754 0.3995128261 0.6076837186
5.076992278 0.7001154689 0.3919573931
Sc SP
4.698159231 -0.2277635023 0.0049515112
1.433088313 0.2175436044 0.5777664691
0.552930024 0.9166769611 0.4846460366
Sc SP
0.6309328384 -0.3088441215 -0.1215468600
0.2328538976 0.0196064117 0.5715227604
0.1028307363 1.1310344420 0.5498949471
Sc D
0.5517000679 0.2197679508
0.1682861055 0.6555473627
0.0649300112 0.2865732590
end
basis "Ti_STO-3G" SPHERICAL
Ti S
1033.5712450 0.1543289673
188.2662926 0.5353281423
50.95220601 0.4446345422
Ti SP
75.25120460 -0.0999672292 0.1559162750
17.48676162 0.3995128261 0.6076837186
5.687237606 0.7001154689 0.3919573931
Ti SP
5.395535474 -0.2277635023 0.0049515112
1.645810296 0.2175436044 0.5777664691
0.635004777 0.9166769611 0.4846460366
Ti SP
0.7122640246 -0.3088441215 -0.1215468600
0.2628702203 0.0196064117 0.5715227604
0.1160862609 1.1310344420 0.5498949471
Ti D
1.645981194 0.2197679508
0.502076728 0.6555473627
0.193716810 0.2865732590
end
basis "V_STO-3G" SPHERICAL
V S
1130.7625170 0.1543289673
205.9698041 0.5353281423
55.74346711 0.4446345422
V SP
83.78385011 -0.0999672292 0.1559162750
19.46956493 0.3995128261 0.6076837186
6.332106784 0.7001154689 0.3919573931
V SP
6.141151276 -0.2277635023 0.0049515112
1.873246881 0.2175436044 0.5777664691
0.7227568825 0.9166769611 0.4846460366
V SP
0.7122640246 -0.3088441215 -0.1215468600
0.2628702203 0.0196064117 0.5715227604
0.1160862609 1.1310344420 0.5498949471
V D
2.964817927 0.2197679508
0.9043639676 0.6555473627
0.3489317337 0.2865732590
end
basis "Cr_STO-3G" SPHERICAL
Cr S
1232.3204500 0.1543289673
224.4687082 0.5353281423
60.74999251 0.4446345422
Cr SP
92.77462423 -0.0999672292 0.1559162750
21.55882749 0.3995128261 0.6076837186
7.011599810 0.7001154689 0.3919573931
Cr SP
6.899488096 -0.2277635023 0.0049515112
2.104563782 0.2175436044 0.5777664691
0.8120061343 0.9166769611 0.4846460366
Cr SP
0.7547780537 -0.3088441215 -0.1215468600
0.2785605708 0.0196064117 0.5715227604
0.1230152851 1.1310344420 0.5498949471
Cr D
4.241479241 0.2197679508
1.293786360 0.6555473627
0.4991829993 0.2865732590
end
basis "Mn_STO-3G" SPHERICAL
Mn S
1337.1532660 0.1543289673
243.5641365 0.5353281423
65.91796062 0.4446345422
Mn SP
102.0220021 -0.0999672292 0.1559162750
23.70771923 0.3995128261 0.6076837186
7.710486098 0.7001154689 0.3919573931
Mn SP
7.701960922 -0.2277635023 0.0049515112
2.349343572 0.2175436044 0.5777664691
0.906449787 0.9166769611 0.4846460366
Mn SP
0.670982286 -0.3088441215 -0.1215468600
0.247634663 0.0196064117 0.5715227604
0.109358078 1.1310344420 0.5498949471
Mn D
5.426950461 0.2197679508
1.655392868 0.6555473627
0.638702032 0.2865732590
end
basis "Fe_STO-3G" SPHERICAL
Fe S
1447.4004110 0.1543289673
263.6457916 0.5353281423
71.35284019 0.4446345422
Fe SP
111.9194891 -0.0999672292 0.1559162750
26.00768236 0.3995128261 0.6076837186
8.458505490 0.7001154689 0.3919573931
Fe SP
8.548569754 -0.2277635023 0.0049515112
2.607586250 0.2175436044 0.5777664691
1.006087840 0.9166769611 0.4846460366
Fe SP
0.5921156814 -0.3088441215 -0.1215468600
0.2185279254 0.0196064117 0.5715227604
0.0965042359 1.1310344420 0.5498949471
Fe D
6.411803475 0.2197679508
1.955804428 0.6555473627
0.754610151 0.2865732590
end
basis "Co_STO-3G" SPHERICAL
Co S
1557.2987040 0.1543289673
283.6639029 0.5353281423
76.77052234 0.4446345422
Co SP
121.8344741 -0.0999672292 0.1559162750
28.31171164 0.3995128261 0.6076837186
9.207847321 0.7001154689 0.3919573931
Co SP
9.480851678 -0.2277635023 0.0049515112
2.891961952 0.2175436044 0.5777664691
1.115808827 0.9166769611 0.4846460366
Co SP
0.5921156814 -0.3088441215 -0.1215468600
0.2185279254 0.0196064117 0.5715227604
0.0965042359 1.1310344420 0.5498949471
Co D
7.664527389 0.2197679508
2.337925151 0.6555473627
0.902044205 0.2865732590
end
basis "Ni_STO-3G" SPHERICAL
Ni S
1679.7710280 0.1543289673
305.9723896 0.5353281423
82.80806943 0.4446345422
Ni SP
132.8588899 -0.0999672292 0.1559162750
30.87354878 0.3995128261 0.6076837186
10.04103627 0.7001154689 0.3919573931
Ni SP
10.33074335 -0.2277635023 0.0049515112
3.151206003 0.2175436044 0.5777664691
1.215833241 0.9166769611 0.4846460366
Ni SP
0.6309328384 -0.3088441215 -0.1215468600
0.2328538976 0.0196064117 0.5715227604
0.1028307363 1.1310344420 0.5498949471
Ni D
8.627722755 0.2197679508
2.631730438 0.6555473627
1.015403419 0.2865732590
end
basis "Cu_STO-3G" SPHERICAL
Cu S
1801.8067300 0.1543289673
328.2013450 0.5353281423
88.82409228 0.4446345422
Cu SP
144.1212184 -0.0999672292 0.1559162750
33.49067173 0.3995128261 0.6076837186
10.89220588 0.7001154689 0.3919573931
Cu SP
11.30775402 -0.2277635023 0.0049515112
3.449225397 0.2175436044 0.5777664691
1.330818388 0.9166769611 0.4846460366
Cu SP
0.6309328384 -0.3088441215 -0.1215468600
0.2328538976 0.0196064117 0.5715227604
0.1028307363 1.1310344420 0.5498949471
Cu D
9.647911930 0.2197679508
2.942920654 0.6555473627
1.135470278 0.2865732590
end
basis "Zn_STO-3G" SPHERICAL
Zn S
1929.4323010 0.1543289673
351.4485021 0.5353281423
95.11568021 0.4446345422
Zn SP
155.8416755 -0.0999672292 0.1559162750
36.21425391 0.3995128261 0.6076837186
11.77799934 0.7001154689 0.3919573931
Zn SP
12.28152744 -0.2277635023 0.0049515112
3.746257327 0.2175436044 0.5777664691
1.445422541 0.9166769611 0.4846460366
Zn SP
0.8897138854 -0.3088441215 -0.1215468600
0.3283603790 0.0196064117 0.5715227604
0.1450074055 1.1310344420 0.5498949471
Zn D
10.94737077 0.2197679508
3.339297018 0.6555473627
1.288404602 0.2865732590
end
basis "Ga_STO-3G" SPHERICAL
Ga S
2061.4245320 0.1543289673
375.4910517 0.5353281423
101.6225324 0.4446345422
Ga SP
167.7618680 -0.0999672292 0.1559162750
38.98425028 0.3995128261 0.6076837186
12.67888813 0.7001154689 0.3919573931
Ga SP
12.61505520 -0.2277635023 0.0049515112
3.847993927 0.2175436044 0.5777664691
1.484675684 0.9166769611 0.4846460366
Ga SP
0.7985243736 -0.3088441215 -0.1215468600
0.2947057141 0.0196064117 0.5715227604
0.1301451506 1.1310344420 0.5498949471
Ga D
12.61505520 0.2197679508
3.847993927 0.6555473627
1.484675684 0.2865732590
end
basis "Ge_STO-3G" SPHERICAL
Ge S
2196.3842290 0.1543289673
400.0741292 0.5353281423
108.2756726 0.4446345422
Ge SP
180.3890380 -0.0999672292 0.1559162750
41.91853304 0.3995128261 0.6076837186
13.63320795 0.7001154689 0.3919573931
Ge SP
14.19665619 -0.2277635023 0.0049515112
4.330432640 0.2175436044 0.5777664691
1.670815538 0.9166769611 0.4846460366
Ge SP
0.9858325600 -0.3088441215 -0.1215468600
0.3638342150 0.0196064117 0.5715227604
0.1606730254 1.1310344420 0.5498949471
Ge D
14.19665619 0.2197679508
4.330432640 0.6555473627
1.670815538 0.2865732590
end
basis "As_STO-3G" SPHERICAL
As S
2337.0656730 0.1543289673
425.6994298 0.5353281423
115.2108790 0.4446345422
As SP
193.1970535 -0.0999672292 0.1559162750
44.89484040 0.3995128261 0.6076837186
14.60119548 0.7001154689 0.3919573931
As SP
15.87163584 -0.2277635023 0.0049515112
4.841354819 0.2175436044 0.5777664691
1.867945198 0.9166769611 0.4846460366
As SP
1.1076814640 -0.3088441215 -0.1215468600
0.4088041239 0.0196064117 0.5715227604
0.1805322114 1.1310344420 0.5498949471
As D
15.87163584 0.2197679508
4.841354819 0.6555473627
1.867945198 0.2865732590
end
basis "Se_STO-3G" SPHERICAL
Se S
2480.6268140 0.1543289673
451.8492708 0.5353281423
122.2880464 0.4446345422
Se SP
206.1578780 -0.0999672292 0.1559162750
47.90665727 0.3995128261 0.6076837186
15.58073180 0.7001154689 0.3919573931
Se SP
17.63999414 -0.2277635023 0.0049515112
5.380760465 0.2175436044 0.5777664691
2.076064666 0.9166769611 0.4846460366
Se SP
1.2146442970 -0.3088441215 -0.1215468600
0.4482801363 0.0196064117 0.5715227604
0.1979652346 1.1310344420 0.5498949471
Se D
17.63999414 0.2197679508
5.380760465 0.6555473627
2.076064666 0.2865732590
end
basis "Br_STO-3G" SPHERICAL
Br S
2629.9974710 0.1543289673
479.0573224 0.5353281423
129.6516070 0.4446345422
Br SP
219.8350255 -0.0999672292 0.1559162750
51.08493222 0.3995128261 0.6076837186
16.61440546 0.7001154689 0.3919573931
Br SP
19.50173109 -0.2277635023 0.0049515112
5.948649577 0.2175436044 0.5777664691
2.295173940 0.9166769611 0.4846460366
Br SP
1.3960374880 -0.3088441215 -0.1215468600
0.5152256318 0.0196064117 0.5715227604
0.2275290713 1.1310344420 0.5498949471
Br D
19.50173109 0.2197679508
5.948649577 0.6555473627
2.295173940 0.2865732590
end
basis "Kr_STO-3G" SPHERICAL
Kr S
2782.1600550 0.1543289673
506.7739270 0.5353281423
137.1528019 0.4446345422
Kr SP
233.9514118 -0.0999672292 0.1559162750
54.36527681 0.3995128261 0.6076837186
17.68127533 0.7001154689 0.3919573931
Kr SP
21.45684671 -0.2277635023 0.0049515112
6.545022156 0.2175436044 0.5777664691
2.525273021 0.9166769611 0.4846460366
Kr SP
1.5900493360 -0.3088441215 -0.1215468600
0.5868282053 0.0196064117 0.5715227604
0.2591495227 1.1310344420 0.5498949471
Kr D
21.45684671 0.2197679508
6.545022156 0.6555473627
2.525273021 0.2865732590
end
basis "Rb_STO-3G" SPHERICAL
Rb S
2938.6015290 0.1543289673
535.2699370 0.5353281423
144.8649340 0.4446345422
Rb SP
248.5070370 -0.0999672292 0.1559162750
57.7476910 0.3995128261 0.6076837186
18.7813410 0.7001154689 0.3919573931
Rb SP
23.50534097 -0.2277635023 0.0049515111
7.169878201 0.2175436044 0.5777664691
2.766361909 0.9166769611 0.4846460366
Rb SP
2.247796820 -0.3088441215 -0.1215468600
0.829578393 0.0196064117 0.5715227604
0.366350565 1.1310344420 0.5498949471
Rb SP
0.4869939919 -0.3842642607 -0.3481691526
0.2622161565 -0.1972567438 0.6290323690
0.1158254875 1.3754955120 0.6662832743
Rb D
23.50534097 0.2197679508
7.169878201 0.6555473627
2.766361909 0.2865732590
end
basis "Sr_STO-3G" SPHERICAL
Sr S
3100.9839510 0.1543289673
564.8480978 0.5353281423
152.8699389 0.4446345422
Sr SP
263.5019007 -0.0999672292 0.1559162750
61.23217493 0.3995128261 0.6076837186
19.91460372 0.7001154689 0.3919573931
Sr SP
25.57886692 -0.2277635023 0.0049515111
7.802369707 0.2175436044 0.5777664691
3.010396794 0.9166769611 0.4846460366
Sr SP
2.461032403 -0.3088441215 -0.1215468600
0.908275734 0.0196064117 0.5715227604
0.401104140 1.1310344420 0.5498949471
Sr SP
0.4370804803 -0.3842642607 -0.3481691526
0.2353408164 -0.1972567438 0.6290323690
0.1039541771 1.3754955120 0.6662832743
Sr D
25.57886692 0.2197679508
7.802369707 0.6555473627
3.010396794 0.2865732590
end
basis "Y_STO-3G" SPHERICAL
Y S
3266.0268690 0.1543289673
594.9108710 0.5353281423
161.0060990 0.4446345422
Y SP
277.9377240 -0.0999672292 0.1559162750
64.5867500 0.3995128261 0.6076837186
21.0056160 0.7001154689 0.3919573931
Y SP
30.6713260 -0.2277635023 0.0049515111
8.5572220 0.2175436044 0.5777664691
3.3492390 0.9166769611 0.4846460366
Y SP
2.6676880 -0.3306100626 -0.1283927634
0.9845440 0.0576109533 0.5852047641
0.4347850 1.1557874500 0.5439442040
Y SP
0.2074240 -0.3842642607 -0.3481691526
0.1116850 -0.1972567438 0.6290323690
0.0493330 1.3754955120 0.6662832743
Y D
5.6600430 0.2197679508
1.7747150 0.6555473627
0.6912950 0.2865732590
Y D
2.1282120 0.1250662138
0.9625940 0.6686785577
0.4728610 0.3052468245
end
basis "Zr_STO-3G" SPHERICAL
Zr S
3435.3486770 0.1543289673
625.7530498 0.5353281423
169.3531958 0.4446345422
Zr SP
293.7830292 -0.0999672292 0.1559162750
68.26885797 0.3995128261 0.6076837186
22.20315144 0.7001154689 0.3919573931
Zr SP
30.73293103 -0.2277635023 0.0049515111
9.374523538 0.2175436044 0.5777664691
3.616982618 0.9166769611 0.4846460366
Zr SP
2.827607815 -0.3306100626 -0.1283927634
1.101055827 0.0576109533 0.5852047641
0.4846874856 1.1557874500 0.5439442040
Zr SP
0.8878301887 -0.3842642607 -0.3481691526
0.3457164736 -0.1972567438 0.6290323690
0.1521852428 1.3754955120 0.6662832743
Zr D
30.73293103 0.2197679508
9.374523538 0.6555473627
3.616982618 0.2865732590
Zr D
0.4869939919 0.1250662138
0.2622161565 0.6686785577
0.1158254875 0.3052468245
end
basis "Nb_STO-3G" SPHERICAL
Nb S
3610.7428640 0.1543289673
657.7013201 0.5353281423
177.9996445 0.4446345422
Nb SP
310.0675728 -0.0999672292 0.1559162750
72.05303569 0.3995128261 0.6076837186
23.43388348 0.7001154689 0.3919573931
Nb SP
33.01997858 -0.2277635023 0.0049515111
10.07214594 0.2175436044 0.5777664691
3.886147028 0.9166769611 0.4846460366
Nb SP
3.144798430 -0.3306100626 -0.1283927634
1.224568208 0.0576109533 0.5852047641
0.5390579399 1.1557874500 0.5439442040
Nb SP
0.4869939919 -0.3842642607 -0.3481691526
0.2622161565 -0.1972567438 0.6290323690
0.1158254875 1.3754955120 0.6662832743
Nb D
33.01997858 0.2197679508
10.07214594 0.6555473627
3.886147028 0.2865732590
Nb D
1.344878866 0.1250662138
0.5236888594 0.6686785577
0.2305291251 0.3052468245
end
basis "Mo_STO-3G" SPHERICAL
Mo S
3788.6661150 0.1543289673
690.1102623 0.5353281423
186.7707691 0.4446345422
Mo SP
326.4309567 -0.0999672292 0.1559162750
75.85553420 0.3995128261 0.6076837186
24.67057401 0.7001154689 0.3919573931
Mo SP
35.46948129 -0.2277635023 0.0049515111
10.81932234 0.2175436044 0.5777664691
4.174430912 0.9166769611 0.4846460366
Mo SP
3.496895188 -0.3306100626 -0.1283927634
1.361672861 0.0576109533 0.5852047641
0.5994117456 1.1557874500 0.5439442040
Mo SP
0.5129625081 -0.3842642607 -0.3481691526
0.2761985970 -0.1972567438 0.6290323690
0.1220017773 1.3754955120 0.6662832743
Mo D
35.46948129 0.2197679508
10.81932234 0.6555473627
4.174430912 0.2865732590
Mo D
1.702112315 0.1250662138
0.6627937127 0.6686785577
0.2917634240 0.3052468245
end
basis "Tc_STO-3G" SPHERICAL
Tc S
3970.8682570 0.1543289673
723.2986098 0.5353281423
195.7528311 0.4446345422
Tc SP
343.5846323 -0.0999672292 0.1559162750
79.84167952 0.3995128261 0.6076837186
25.96699219 0.7001154689 0.3919573931
Tc SP
38.08991983 -0.2277635023 0.0049515111
11.61863962 0.2175436044 0.5777664691
4.482832367 0.9166769611 0.4846460366
Tc SP
3.829752708 -0.3306100626 -0.1283927634
1.491285854 0.0576109533 0.5852047641
0.6564677040 1.1557874500 0.5439442040
Tc SP
0.4616999826 -0.3842642607 -0.3481691526
0.2485968963 -0.1972567438 0.6290323690
0.1098096207 1.3754955120 0.6662832743
Tc D
38.08991983 0.2197679508
11.61863962 0.6555473627
4.482832367 0.2865732590
Tc D
2.101373228 0.1250662138
0.8182638428 0.6686785577
0.3602017580 0.3052468245
end
basis "Ru_STO-3G" SPHERICAL
Ru S
4159.2742100 0.1543289673
757.6169894 0.5353281423
205.0407239 0.4446345422
Ru SP
360.7986561 -0.0999672292 0.1559162750
83.84184843 0.3995128261 0.6076837186
27.26797127 0.7001154689 0.3919573931
Ru SP
40.71751678 -0.2277635023 0.0049515111
12.42014044 0.2175436044 0.5777664691
4.792076302 0.9166769611 0.4846460366
Ru SP
4.197516371 -0.3306100626 -0.1283927634
1.634491118 0.0576109533 0.5852047641
0.7195070139 1.1557874500 0.5439442040
Ru SP
0.4131354848 -0.3842642607 -0.3481691526
0.2224479167 -0.1972567438 0.6290323690
0.0982591566 1.3754955120 0.6662832743
Ru D
40.71751678 0.2197679508
12.42014044 0.6555473627
4.792076302 0.2865732590
Ru D
2.390895761 0.1250662138
0.9310024167 0.6686785577
0.4098295558 0.3052468245
end
basis "Rh_STO-3G" SPHERICAL
Rh S
4350.0777940 0.1543289673
792.3721005 0.5353281423
214.4468133 0.4446345422
Rh SP
378.4334264 -0.0999672292 0.1559162750
87.93978981 0.3995128261 0.6076837186
28.60074899 0.7001154689 0.3919573931
Rh SP
43.52179455 -0.2277635023 0.0049515111
13.27553454 0.2175436044 0.5777664691
5.122113939 0.9166769611 0.4846460366
Rh SP
4.540857408 -0.3306100626 -0.1283927634
1.768186338 0.0576109533 0.5852047641
0.7783599789 1.1557874500 0.5439442040
Rh SP
0.4131354848 -0.3842642607 -0.3481691526
0.2224479167 -0.1972567438 0.6290323690
0.0982591566 1.3754955120 0.6662832743
Rh D
43.52179455 0.2197679508
13.27553454 0.6555473627
5.122113939 0.2865732590
Rh D
2.779066094 0.1250662138
1.082153932 0.6686785577
0.4763668250 0.3052468245
end
basis "Pd_STO-3G" SPHERICAL
Pd S
4545.1602690 0.1543289673
827.9066168 0.5353281423
224.0638402 0.4446345422
Pd SP
396.4889433 -0.0999672292 0.1559162750
92.13550365 0.3995128261 0.6076837186
29.96532535 0.7001154689 0.3919573931
Pd SP
46.41945097 -0.2277635023 0.0049515111
14.15941211 0.2175436044 0.5777664691
5.463141383 0.9166769611 0.4846460366
Pd SP
4.919104589 -0.3306100626 -0.1283927634
1.915473830 0.0576109533 0.5852047641
0.8431962954 1.1557874500 0.5439442040
Pd SP
0.4370804803 -0.3842642607 -0.3481691526
0.2353408164 -0.1972567438 0.6290323690
0.1039541771 1.3754955120 0.6662832743
Pd D
46.41945097 0.2197679508
14.15941211 0.6555473627
5.463141383 0.2865732590
Pd D
3.025977448 0.1250662138
1.178299934 0.6686785577
0.5186905316 0.3052468245
end
basis "Ag_STO-3G" SPHERICAL
Ag S
4744.5216340 0.1543289673
864.2205383 0.5353281423
233.8918045 0.4446345422
Ag SP
414.9652069 -0.0999672292 0.1559162750
96.42898995 0.3995128261 0.6076837186
31.36170035 0.7001154689 0.3919573931
Ag SP
49.41048605 -0.2277635023 0.0049515111
15.07177314 0.2175436044 0.5777664691
5.815158634 0.9166769611 0.4846460366
Ag SP
5.290230450 -0.3306100626 -0.1283927634
2.059988316 0.0576109533 0.5852047641
0.9068119281 1.1557874500 0.5439442040
Ag SP
0.4370804803 -0.3842642607 -0.3481691526
0.2353408164 -0.1972567438 0.6290323690
0.1039541771 1.3754955120 0.6662832743
Ag D
49.41048605 0.2197679508
15.07177314 0.6555473627
5.815158634 0.2865732590
Ag D
3.283395668 0.1250662138
1.278537254 0.6686785577
0.5628152469 0.3052468245
end
basis "Cd_STO-3G" SPHERICAL
Cd S
4950.2619050 0.1543289673
901.6963856 0.5353281423
244.0342313 0.4446345422
Cd SP
433.4469385 -0.0999672292 0.1559162750
100.7237469 0.3995128261 0.6076837186
32.75848861 0.7001154689 0.3919573931
Cd SP
52.59279235 -0.2277635023 0.0049515111
16.04247800 0.2175436044 0.5777664691
6.189686744 0.9166769611 0.4846460366
Cd SP
5.674851796 -0.3306100626 -0.1283927634
2.209757875 0.0576109533 0.5852047641
0.9727408566 1.1557874500 0.5439442040
Cd SP
0.5949150981 -0.3842642607 -0.3481691526
0.3203250000 -0.1972567438 0.6290323690
0.1414931855 1.3754955120 0.6662832743
Cd D
52.59279235 0.2197679508
16.04247800 0.6555473627
6.189686744 0.2865732590
Cd D
3.642963976 0.1250662138
1.418551290 0.6686785577
0.6244497700 0.3052468245
end
basis "In_STO-3G" SPHERICAL
In S
5158.2247140 0.1543289673
939.5770707 0.5353281423
254.2862231 0.4446345422
In SP
452.3313223 -0.0999672292 0.1559162750
105.1120716 0.3995128261 0.6076837186
34.18570799 0.7001154689 0.3919573931
In SP
55.97539769 -0.2277635023 0.0049515112
17.07428044 0.2175436044 0.5777664691
6.587788204 0.9166769611 0.4846460366
In SP
5.048549180 -0.3306100626 -0.1283927634
1.965878882 0.0576109534 0.5852047641
0.8653847237 1.1155787450 0.5439442040
In SP
0.5669230612 -0.3842642607 -0.3481691526
0.3052530187 -0.1972567438 0.6290323690
0.1348356264 1.3754955120 0.6662832743
In D
55.97539769 0.2197679508
17.07428044 0.6555473627
6.587788204 0.2865732590
In D
5.048549180 0.1250662138
1.965878882 0.6686785577
0.8653847237 0.3052468245
end
basis "Sn_STO-3G" SPHERICAL
Sn S
5370.4664130 0.1543289673
978.2371611 0.5353281423
264.7491522 0.4446345422
Sn SP
472.0515322 -0.0999672292 0.1559162750
109.6946243 0.3995128261 0.6076837186
35.67609636 0.7001154689 0.3919573931
Sn SP
59.15141188 -0.2277635023 0.0049515112
18.04306600 0.2175436044 0.5777664691
6.961575790 0.9166769611 0.4846460366
Sn SP
5.583138529 -0.3306100626 -0.1283927634
2.174045204 0.0576109534 0.5852047641
0.9570200509 1.1155787450 0.5439442040
Sn SP
0.6235816420 -0.3842642607 -0.3481691526
0.3357601616 -0.1972567438 0.6290323690
0.1483111678 1.3754955120 0.6662832743
Sn D
59.15141188 0.2197679508
18.04306600 0.6555473627
6.961575790 0.2865732590
Sn D
5.583138529 0.1250662138
2.174045204 0.6686785577
0.9570200509 0.3052468245
end
basis "Sb_STO-3G" SPHERICAL
Sb S
5586.9870020 0.1543289673
1017.6766570 0.5353281423
275.4230189 0.4446345422
Sb SP
492.1924888 -0.0999672292 0.1559162750
114.3749494 0.3995128261 0.6076837186
37.19828336 0.7001154689 0.3919573931
Sb SP
62.52179775 -0.2277635023 0.0049515112
19.07114112 0.2175436044 0.5777664691
7.358239131 0.9166769611 0.4846460366
Sb SP
6.120693149 -0.3306100626 -0.1283927634
2.383366187 0.0576109534 0.5852047641
1.049163663 1.1155787450 0.5439442040
Sb SP
0.6529226928 -0.3842642607 -0.3481691526
0.3515585034 -0.1972567438 0.6290323690
0.1552895732 1.3754955120 0.6662832743
Sb D
62.52179775 0.2197679508
19.07114112 0.6555473627
7.358239131 0.2865732590
Sb D
6.120693149 0.1250662138
2.383366187 0.6686785577
1.049163663 0.3052468245
end
basis "Te_STO-3G" SPHERICAL
Te S
5810.0615910 0.1543289673
1058.3099720 0.5353281423
286.4199797 0.4446345422
Te SP
512.7541920 -0.0999672292 0.1559162750
119.1530471 0.3995128261 0.6076837186
38.75226900 0.7001154689 0.3919573931
Te SP
65.98556227 -0.2277635023 0.0049515112
20.12769970 0.2175436044 0.5777664691
7.765892279 0.9166769611 0.4846460366
Te SP
6.707956921 -0.3306100626 -0.1283927634
2.612043655 0.0576109534 0.5852047641
1.149828048 1.1155787450 0.5439442040
Te SP
0.7012713483 -0.3842642607 -0.3481691526
0.3775912653 -0.1972567438 0.6290323690
0.1667887020 1.3754955120 0.6662832743
Te D
65.98556227 0.2197679508
20.12769970 0.6555473627
7.765892279 0.2865732590
Te D
6.707956921 0.1250662138
2.612043655 0.6686785577
1.149828048 0.3052468245
end
basis "I_STO-3G" SPHERICAL
I S
6035.1836230 0.1543289673
1099.3162310 0.5353281423
297.5178737 0.4446345422
I SP
533.7366418 -0.0999672292 0.1559162750
124.0289171 0.3995128261 0.6076837186
40.33805328 0.7001154689 0.3919573931
I SP
69.54270545 -0.2277635023 0.0049515112
21.21274175 0.2175436044 0.5777664691
8.184535234 0.9166769611 0.4846460366
I SP
7.295991196 -0.3306100626 -0.1283927634
2.841021154 0.0576109534 0.5852047641
1.250624506 1.1155787450 0.5439442040
I SP
0.7900364582 -0.3842642607 -0.3481691526
0.4253857892 -0.1972567438 0.6290323690
0.1879003836 1.3754955120 0.6662832743
I D
69.54270545 0.2197679508
21.21274175 0.6555473627
8.184535234 0.2865732590
I D
7.295991196 0.1250662138
2.841021154 0.6686785577
1.250624506 0.3052468245
end
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