/usr/share/psi/basis/sto-3g.gbs is in psi4-data 4.0~beta5+dfsg-2.
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!
! STO-3G EMSL Basis Set Exchange Library 8/12/10 2:44 AM
! 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
!
****
H 0
S 3 1.00
3.42525091 0.15432897
0.62391373 0.53532814
0.16885540 0.44463454
****
He 0
S 3 1.00
6.36242139 0.15432897
1.15892300 0.53532814
0.31364979 0.44463454
****
Li 0
S 3 1.00
16.1195750 0.15432897
2.9362007 0.53532814
0.7946505 0.44463454
SP 3 1.00
0.6362897 -0.09996723 0.15591627
0.1478601 0.39951283 0.60768372
0.0480887 0.70011547 0.39195739
****
Be 0
S 3 1.00
30.1678710 0.15432897
5.4951153 0.53532814
1.4871927 0.44463454
SP 3 1.00
1.3148331 -0.09996723 0.15591627
0.3055389 0.39951283 0.60768372
0.0993707 0.70011547 0.39195739
****
B 0
S 3 1.00
48.7911130 0.15432897
8.8873622 0.53532814
2.4052670 0.44463454
SP 3 1.00
2.2369561 -0.09996723 0.15591627
0.5198205 0.39951283 0.60768372
0.1690618 0.70011547 0.39195739
****
C 0
S 3 1.00
71.6168370 0.15432897
13.0450960 0.53532814
3.5305122 0.44463454
SP 3 1.00
2.9412494 -0.09996723 0.15591627
0.6834831 0.39951283 0.60768372
0.2222899 0.70011547 0.39195739
****
N 0
S 3 1.00
99.1061690 0.15432897
18.0523120 0.53532814
4.8856602 0.44463454
SP 3 1.00
3.7804559 -0.09996723 0.15591627
0.8784966 0.39951283 0.60768372
0.2857144 0.70011547 0.39195739
****
O 0
S 3 1.00
130.7093200 0.15432897
23.8088610 0.53532814
6.4436083 0.44463454
SP 3 1.00
5.0331513 -0.09996723 0.15591627
1.1695961 0.39951283 0.60768372
0.3803890 0.70011547 0.39195739
****
F 0
S 3 1.00
166.6791300 0.15432897
30.3608120 0.53532814
8.2168207 0.44463454
SP 3 1.00
6.4648032 -0.09996723 0.15591627
1.5022812 0.39951283 0.60768372
0.4885885 0.70011547 0.39195739
****
Ne 0
S 3 1.00
207.0156100 0.15432897
37.7081510 0.53532814
10.2052970 0.44463454
SP 3 1.00
8.2463151 -0.09996723 0.15591627
1.9162662 0.39951283 0.60768372
0.6232293 0.70011547 0.39195739
****
Na 0
S 3 1.00
250.7724300 0.1543289673
45.6785110 0.5353281423
12.3623880 0.4446345422
SP 3 1.00
12.0401930 -0.09996722919 0.1559162750
2.7978819 0.39951282610 0.6076837186
0.9099580 0.70011546890 0.3919573931
SP 3 1.00
1.4787406 -0.2196203690 0.01058760429
0.4125649 0.2255954336 0.59516700530
0.1614751 0.9003984260 0.46200101200
****
Mg 0
S 3 1.00
299.2374000 0.1543289673
54.5064700 0.5353281423
14.7515800 0.4446345422
SP 3 1.00
15.1218200 -0.09996722919 0.1559162750
3.5139870 0.39951282610 0.6076837186
1.1428570 0.70011546890 0.3919573931
SP 3 1.00
1.3954480 -0.2196203690 0.01058760429
0.3893260 0.2255954336 0.59516700530
0.1523800 0.9003984260 0.46200101200
****
Al 0
S 3 1.00
351.4214767 0.1543289673
64.01186067 0.5353281423
17.32410761 0.4446345422
SP 3 1.00
18.89939621 -0.09996722919 0.1559162750
4.391813233 0.39951282610 0.6076837186
1.428353970 0.70011546890 0.3919573931
SP 3 1.00
1.3954482930 -0.2196203690 0.01058760429
0.3893265318 0.2255954336 0.59516700530
0.1523797659 0.9003984260 0.46200101200
****
Si 0
S 3 1.00
407.7975514 0.1543289673
74.28083305 0.5353281423
20.10329229 0.4446345422
SP 3 1.00
23.19365606 -0.09996722919 0.1559162750
5.389706871 0.39951282610 0.6076837186
1.752899952 0.70011546890 0.3919573931
SP 3 1.00
1.4787406220 -0.2196203690 0.01058760429
0.4125648801 0.2255954336 0.59516700530
0.1614750979 0.9003984260 0.46200101200
****
P 0
S 3 1.00
468.3656378 0.1543289673
85.31338559 0.5353281423
23.08913156 0.4446345422
SP 3 1.00
28.03263958 -0.09996722919 0.1559162750
6.514182577 0.39951282610 0.6076837186
2.118614352 0.70011546890 0.3919573931
SP 3 1.00
1.7431032310 -0.2196203690 0.01058760429
0.4863213771 0.2255954336 0.59516700530
0.1903428909 0.9003984260 0.46200101200
****
S 0
S 3 1.00
533.1257359 0.1543289673
97.10951830 0.5353281423
26.28162542 0.4446345422
SP 3 1.00
33.32975173 -0.09996722919 0.1559162750
7.745117521 0.39951282610 0.6076837186
2.518952599 0.70011546890 0.3919573931
SP 3 1.00
2.0291942740 -0.2196203690 0.01058760429
0.5661400518 0.2255954336 0.59516700530
0.2215833792 0.9003984260 0.46200101200
****
Cl 0
S 3 1.00
601.3456136 0.1543289673
109.5358542 0.5353281423
29.64467686 0.4446345422
SP 3 1.00
38.96041889 -0.09996722919 0.1559162750
9.053563477 0.39951282610 0.6076837186
2.944499834 0.70011546890 0.3919573931
SP 3 1.00
2.1293864950 -0.2196203690 0.01058760429
0.5940934274 0.2255954336 0.59516700530
0.2325241410 0.9003984260 0.46200101200
****
Ar 0
S 3 1.00
674.4465184 0.1543289673
122.8512753 0.5353281423
33.24834945 0.4446345422
SP 3 1.00
45.16424392 -0.09996722919 0.1559162750
10.49519900 0.39951282610 0.6076837186
3.413364448 0.70011546890 0.3919573931
SP 3 1.00
2.6213665180 -0.2196203690 0.01058760429
0.7313546050 0.2255954336 0.59516700530
0.2862472356 0.9003984260 0.46200101200
****
K 0
S 3 1.00
771.5103681 0.1543289673
140.5315766 0.5353281423
38.03332899 0.4446345422
SP 3 1.00
52.40203979 -0.0999672292 0.1559162750
12.17710710 0.3995128261 0.6076837186
3.960373165 0.7001154689 0.3919573931
SP 3 1.00
3.651583985 -0.2196203690 0.0105876043
1.018782663 0.2255954336 0.5951670053
0.3987446295 0.9003984260 0.4620010120
SP 3 1.00
0.5039822505 -0.3088441215 -0.1215468600
0.1860011465 0.0196064117 0.5715227604
0.08214006743 1.1310344420 0.5498949471
****
Ca 0
S 3 1.00
854.0324951 0.1543289673
155.5630851 0.5353281423
42.10144179 0.4446345422
SP 3 1.00
59.56029944 -0.0999672292 0.1559162750
13.84053270 0.3995128261 0.6076837186
4.501370797 0.7001154689 0.3919573931
SP 3 1.00
4.374706256 -0.2196203690 0.0105876043
1.220531941 0.2255954336 0.5951670053
0.477707930 0.9003984260 0.4620010120
SP 3 1.00
0.4558489757 -0.3088441215 -0.1215468600
0.1682369410 0.0196064117 0.5715227604
0.0742952070 1.1310344420 0.5498949471
****
Sc 0
S 3 1.00
941.6624250 0.1543289673
171.5249862 0.5353281423
46.42135516 0.4446345422
SP 3 1.00
67.17668771 -0.0999672292 0.1559162750
15.61041754 0.3995128261 0.6076837186
5.076992278 0.7001154689 0.3919573931
SP 3 1.00
4.698159231 -0.2277635023 0.0049515112
1.433088313 0.2175436044 0.5777664691
0.552930024 0.9166769611 0.4846460366
SP 3 1.00
0.6309328384 -0.3088441215 -0.1215468600
0.2328538976 0.0196064117 0.5715227604
0.1028307363 1.1310344420 0.5498949471
D 3 1.00
0.5517000679 0.2197679508
0.1682861055 0.6555473627
0.0649300112 0.2865732590
****
Ti 0
S 3 1.00
1033.5712450 0.1543289673
188.2662926 0.5353281423
50.95220601 0.4446345422
SP 3 1.00
75.25120460 -0.0999672292 0.1559162750
17.48676162 0.3995128261 0.6076837186
5.687237606 0.7001154689 0.3919573931
SP 3 1.00
5.395535474 -0.2277635023 0.0049515112
1.645810296 0.2175436044 0.5777664691
0.635004777 0.9166769611 0.4846460366
SP 3 1.00
0.7122640246 -0.3088441215 -0.1215468600
0.2628702203 0.0196064117 0.5715227604
0.1160862609 1.1310344420 0.5498949471
D 3 1.00
1.645981194 0.2197679508
0.502076728 0.6555473627
0.193716810 0.2865732590
****
V 0
S 3 1.00
1130.7625170 0.1543289673
205.9698041 0.5353281423
55.74346711 0.4446345422
SP 3 1.00
83.78385011 -0.0999672292 0.1559162750
19.46956493 0.3995128261 0.6076837186
6.332106784 0.7001154689 0.3919573931
SP 3 1.00
6.141151276 -0.2277635023 0.0049515112
1.873246881 0.2175436044 0.5777664691
0.7227568825 0.9166769611 0.4846460366
SP 3 1.00
0.7122640246 -0.3088441215 -0.1215468600
0.2628702203 0.0196064117 0.5715227604
0.1160862609 1.1310344420 0.5498949471
D 3 1.00
2.964817927 0.2197679508
0.9043639676 0.6555473627
0.3489317337 0.2865732590
****
Cr 0
S 3 1.00
1232.3204500 0.1543289673
224.4687082 0.5353281423
60.74999251 0.4446345422
SP 3 1.00
92.77462423 -0.0999672292 0.1559162750
21.55882749 0.3995128261 0.6076837186
7.011599810 0.7001154689 0.3919573931
SP 3 1.00
6.899488096 -0.2277635023 0.0049515112
2.104563782 0.2175436044 0.5777664691
0.8120061343 0.9166769611 0.4846460366
SP 3 1.00
0.7547780537 -0.3088441215 -0.1215468600
0.2785605708 0.0196064117 0.5715227604
0.1230152851 1.1310344420 0.5498949471
D 3 1.00
4.241479241 0.2197679508
1.293786360 0.6555473627
0.4991829993 0.2865732590
****
Mn 0
S 3 1.00
1337.1532660 0.1543289673
243.5641365 0.5353281423
65.91796062 0.4446345422
SP 3 1.00
102.0220021 -0.0999672292 0.1559162750
23.70771923 0.3995128261 0.6076837186
7.710486098 0.7001154689 0.3919573931
SP 3 1.00
7.701960922 -0.2277635023 0.0049515112
2.349343572 0.2175436044 0.5777664691
0.906449787 0.9166769611 0.4846460366
SP 3 1.00
0.670982286 -0.3088441215 -0.1215468600
0.247634663 0.0196064117 0.5715227604
0.109358078 1.1310344420 0.5498949471
D 3 1.00
5.426950461 0.2197679508
1.655392868 0.6555473627
0.638702032 0.2865732590
****
Fe 0
S 3 1.00
1447.4004110 0.1543289673
263.6457916 0.5353281423
71.35284019 0.4446345422
SP 3 1.00
111.9194891 -0.0999672292 0.1559162750
26.00768236 0.3995128261 0.6076837186
8.458505490 0.7001154689 0.3919573931
SP 3 1.00
8.548569754 -0.2277635023 0.0049515112
2.607586250 0.2175436044 0.5777664691
1.006087840 0.9166769611 0.4846460366
SP 3 1.00
0.5921156814 -0.3088441215 -0.1215468600
0.2185279254 0.0196064117 0.5715227604
0.0965042359 1.1310344420 0.5498949471
D 3 1.00
6.411803475 0.2197679508
1.955804428 0.6555473627
0.754610151 0.2865732590
****
Co 0
S 3 1.00
1557.2987040 0.1543289673
283.6639029 0.5353281423
76.77052234 0.4446345422
SP 3 1.00
121.8344741 -0.0999672292 0.1559162750
28.31171164 0.3995128261 0.6076837186
9.207847321 0.7001154689 0.3919573931
SP 3 1.00
9.480851678 -0.2277635023 0.0049515112
2.891961952 0.2175436044 0.5777664691
1.115808827 0.9166769611 0.4846460366
SP 3 1.00
0.5921156814 -0.3088441215 -0.1215468600
0.2185279254 0.0196064117 0.5715227604
0.0965042359 1.1310344420 0.5498949471
D 3 1.00
7.664527389 0.2197679508
2.337925151 0.6555473627
0.902044205 0.2865732590
****
Ni 0
S 3 1.00
1679.7710280 0.1543289673
305.9723896 0.5353281423
82.80806943 0.4446345422
SP 3 1.00
132.8588899 -0.0999672292 0.1559162750
30.87354878 0.3995128261 0.6076837186
10.04103627 0.7001154689 0.3919573931
SP 3 1.00
10.33074335 -0.2277635023 0.0049515112
3.151206003 0.2175436044 0.5777664691
1.215833241 0.9166769611 0.4846460366
SP 3 1.00
0.6309328384 -0.3088441215 -0.1215468600
0.2328538976 0.0196064117 0.5715227604
0.1028307363 1.1310344420 0.5498949471
D 3 1.00
8.627722755 0.2197679508
2.631730438 0.6555473627
1.015403419 0.2865732590
****
Cu 0
S 3 1.00
1801.8067300 0.1543289673
328.2013450 0.5353281423
88.82409228 0.4446345422
SP 3 1.00
144.1212184 -0.0999672292 0.1559162750
33.49067173 0.3995128261 0.6076837186
10.89220588 0.7001154689 0.3919573931
SP 3 1.00
11.30775402 -0.2277635023 0.0049515112
3.449225397 0.2175436044 0.5777664691
1.330818388 0.9166769611 0.4846460366
SP 3 1.00
0.6309328384 -0.3088441215 -0.1215468600
0.2328538976 0.0196064117 0.5715227604
0.1028307363 1.1310344420 0.5498949471
D 3 1.00
9.647911930 0.2197679508
2.942920654 0.6555473627
1.135470278 0.2865732590
****
Zn 0
S 3 1.00
1929.4323010 0.1543289673
351.4485021 0.5353281423
95.11568021 0.4446345422
SP 3 1.00
155.8416755 -0.0999672292 0.1559162750
36.21425391 0.3995128261 0.6076837186
11.77799934 0.7001154689 0.3919573931
SP 3 1.00
12.28152744 -0.2277635023 0.0049515112
3.746257327 0.2175436044 0.5777664691
1.445422541 0.9166769611 0.4846460366
SP 3 1.00
0.8897138854 -0.3088441215 -0.1215468600
0.3283603790 0.0196064117 0.5715227604
0.1450074055 1.1310344420 0.5498949471
D 3 1.00
10.94737077 0.2197679508
3.339297018 0.6555473627
1.288404602 0.2865732590
****
Ga 0
S 3 1.00
2061.4245320 0.1543289673
375.4910517 0.5353281423
101.6225324 0.4446345422
SP 3 1.00
167.7618680 -0.0999672292 0.1559162750
38.98425028 0.3995128261 0.6076837186
12.67888813 0.7001154689 0.3919573931
SP 3 1.00
12.61505520 -0.2277635023 0.0049515112
3.847993927 0.2175436044 0.5777664691
1.484675684 0.9166769611 0.4846460366
SP 3 1.00
0.7985243736 -0.3088441215 -0.1215468600
0.2947057141 0.0196064117 0.5715227604
0.1301451506 1.1310344420 0.5498949471
D 3 1.00
12.61505520 0.2197679508
3.847993927 0.6555473627
1.484675684 0.2865732590
****
Ge 0
S 3 1.00
2196.3842290 0.1543289673
400.0741292 0.5353281423
108.2756726 0.4446345422
SP 3 1.00
180.3890380 -0.0999672292 0.1559162750
41.91853304 0.3995128261 0.6076837186
13.63320795 0.7001154689 0.3919573931
SP 3 1.00
14.19665619 -0.2277635023 0.0049515112
4.330432640 0.2175436044 0.5777664691
1.670815538 0.9166769611 0.4846460366
SP 3 1.00
0.9858325600 -0.3088441215 -0.1215468600
0.3638342150 0.0196064117 0.5715227604
0.1606730254 1.1310344420 0.5498949471
D 3 1.00
14.19665619 0.2197679508
4.330432640 0.6555473627
1.670815538 0.2865732590
****
As 0
S 3 1.00
2337.0656730 0.1543289673
425.6994298 0.5353281423
115.2108790 0.4446345422
SP 3 1.00
193.1970535 -0.0999672292 0.1559162750
44.89484040 0.3995128261 0.6076837186
14.60119548 0.7001154689 0.3919573931
SP 3 1.00
15.87163584 -0.2277635023 0.0049515112
4.841354819 0.2175436044 0.5777664691
1.867945198 0.9166769611 0.4846460366
SP 3 1.00
1.1076814640 -0.3088441215 -0.1215468600
0.4088041239 0.0196064117 0.5715227604
0.1805322114 1.1310344420 0.5498949471
D 3 1.00
15.87163584 0.2197679508
4.841354819 0.6555473627
1.867945198 0.2865732590
****
Se 0
S 3 1.00
2480.6268140 0.1543289673
451.8492708 0.5353281423
122.2880464 0.4446345422
SP 3 1.00
206.1578780 -0.0999672292 0.1559162750
47.90665727 0.3995128261 0.6076837186
15.58073180 0.7001154689 0.3919573931
SP 3 1.00
17.63999414 -0.2277635023 0.0049515112
5.380760465 0.2175436044 0.5777664691
2.076064666 0.9166769611 0.4846460366
SP 3 1.00
1.2146442970 -0.3088441215 -0.1215468600
0.4482801363 0.0196064117 0.5715227604
0.1979652346 1.1310344420 0.5498949471
D 3 1.00
17.63999414 0.2197679508
5.380760465 0.6555473627
2.076064666 0.2865732590
****
Br 0
S 3 1.00
2629.9974710 0.1543289673
479.0573224 0.5353281423
129.6516070 0.4446345422
SP 3 1.00
219.8350255 -0.0999672292 0.1559162750
51.08493222 0.3995128261 0.6076837186
16.61440546 0.7001154689 0.3919573931
SP 3 1.00
19.50173109 -0.2277635023 0.0049515112
5.948649577 0.2175436044 0.5777664691
2.295173940 0.9166769611 0.4846460366
SP 3 1.00
1.3960374880 -0.3088441215 -0.1215468600
0.5152256318 0.0196064117 0.5715227604
0.2275290713 1.1310344420 0.5498949471
D 3 1.00
19.50173109 0.2197679508
5.948649577 0.6555473627
2.295173940 0.2865732590
****
Kr 0
S 3 1.00
2782.1600550 0.1543289673
506.7739270 0.5353281423
137.1528019 0.4446345422
SP 3 1.00
233.9514118 -0.0999672292 0.1559162750
54.36527681 0.3995128261 0.6076837186
17.68127533 0.7001154689 0.3919573931
SP 3 1.00
21.45684671 -0.2277635023 0.0049515112
6.545022156 0.2175436044 0.5777664691
2.525273021 0.9166769611 0.4846460366
SP 3 1.00
1.5900493360 -0.3088441215 -0.1215468600
0.5868282053 0.0196064117 0.5715227604
0.2591495227 1.1310344420 0.5498949471
D 3 1.00
21.45684671 0.2197679508
6.545022156 0.6555473627
2.525273021 0.2865732590
****
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