#----------------------------------------------------------------------

# Basis Set Exchange

# Version v0.8.12

# https://www.basissetexchange.org

#----------------------------------------------------------------------

# Basis set: 6-311+G*

# Description: VTZ Valence Triple Zeta: 3 Funct.'s/Valence AO with

# diffuse+polarization on heavy atoms

# Role: orbital

# Version: 0 (Data from the Original Basis Set Exchange)

#----------------------------------------------------------------------

BASIS "ao basis" PRINT

#BASIS SET: (5s) -> [3s]

H S

33.86500 0.0254938

5.094790 0.190373

1.158790 0.852161

H S

0.325840 1.000000

H S

0.102741 1.000000

#BASIS SET: (5s) -> [3s]

He S

98.12430 0.0287452

14.76890 0.208061

3.318830 0.837635

He S

0.874047 1.000000

He S

0.244564 1.000000

#BASIS SET: (12s,6p,1d) -> [5s,4p,1d]

Li S

900.4600 0.00228704

134.4330 0.0176350

30.43650 0.0873434

8.626390 0.2809770

2.483320 0.6587410

0.303179 0.118712

Li SP

4.868900 0.0933293 0.0327661

0.856924 0.9430450 0.1597920

0.243227 -0.00279827 0.8856670

Li SP

0.0635070 1.000000 1.000000

Li SP

0.0243683 1.000000 1.000000

Li SP

0.0074000 1.0000000 1.0000000

Li D

0.200 1.000000

#BASIS SET: (12s,6p,1d) -> [5s,4p,1d]

Be S

1682.800 0.00228574

251.7150 0.0175938

57.41160 0.0863315

16.51710 0.2818350

4.853640 0.6405940

0.626863 0.1444670

Be SP

8.309380 0.108621 0.0361344

1.740750 0.927301 0.216958

0.485816 -0.00297169 0.841839

Be SP

0.163613 1.000000 1.000000

Be SP

0.0567285 1.000000 1.000000

Be SP

0.0207000 1.0000000 1.0000000

Be D

0.255 1.000000

#BASIS SET: (12s,6p,1d) -> [5s,4p,1d]

B S

2858.890 0.00215375

428.1400 0.0165823

97.52820 0.0821870

27.96930 0.2766180

8.215770 0.6293160

1.112780 0.1737700

B SP

13.24150 0.117443 0.0418100

3.001660 0.918002 0.236575

0.912856 -0.00265105 0.816214

B SP

0.315454 1.000000 1.000000

B SP

0.0988563 1.000000 1.000000

B SP

0.0315000 1.0000000 1.0000000

B D

0.401 1.000000

#BASIS SET: (12s,6p,1d) -> [5s,4p,1d]

C S

4563.240 0.00196665

682.0240 0.0152306

154.9730 0.0761269

44.45530 0.2608010

13.02900 0.6164620

1.827730 0.2210060

C SP

20.96420 0.114660 0.0402487

4.803310 0.919999 0.237594

1.459330 -0.00303068 0.815854

C SP

0.4834560 1.000000 1.000000

C SP

0.1455850 1.000000 1.000000

C SP

0.0438000 1.0000000 1.0000000

C D

0.626 1.000000

#BASIS SET: (12s,6p,1d) -> [5s,4p,1d]

N S

6293.480 0.00196979

949.0440 0.0149613

218.7760 0.0735006

63.69160 0.2489370

18.82820 0.6024600

2.720230 0.2562020

N SP

30.63310 0.111906 0.0383119

7.026140 0.921666 0.237403

2.112050 -0.00256919 0.817592

N SP

0.684009 1.000000 1.000000

N SP

0.200878 1.000000 1.000000

N SP

0.0639000 1.0000000 1.0000000

N D

0.913 1.000000

#BASIS SET: (12s,6p,1d) -> [5s,4p,1d]

O S

8588.500 0.00189515

1297.230 0.0143859

299.2960 0.0707320

87.37710 0.2400010

25.67890 0.5947970

3.740040 0.2808020

O SP

42.11750 0.113889 0.0365114

9.628370 0.920811 0.237153

2.853320 -0.00327447 0.819702

O SP

0.905661 1.000000 1.000000

O SP

0.255611 1.000000 1.000000

O SP

0.0845000 1.0000000 1.0000000

O D

1.292 1.000000

#BASIS SET: (12s,6p,1d) -> [5s,4p,1d]

F S

11427.10 0.00180093

1722.350 0.0137419

395.7460 0.0681334

115.1390 0.2333250

33.60260 0.5890860

4.919010 0.2995050

F SP

55.44410 0.114536 0.0354609

12.63230 0.920512 0.237451

3.717560 -0.00337804 0.820458

F SP

1.165450 1.000000 1.000000

F SP

0.321892 1.000000 1.000000

F SP

0.1076000 1.0000000 1.0000000

F D

1.750 1.000000

#BASIS SET: (12s,6p,1d) -> [5s,4p,1d]

Ne S

13995.70 0.00183276

2117.100 0.0138827

490.4250 0.0680687

143.8330 0.2313280

41.92650 0.5858900

6.156840 0.3058830

Ne SP

69.12110 0.1191490 0.0356574

15.83500 0.9173750 0.2394770

4.673260 -0.00405839 0.8184610

Ne SP

1.457560 1.000000 1.000000

Ne SP

0.397057 1.000000 1.000000

Ne SP

0.1300000 1.0000000 1.0000000

Ne D

2.304 1.000000

#BASIS SET: (14s,10p,1d) -> [7s,6p,1d]

Na S

36166.4 0.001032

5372.58 0.008071

1213.21 0.042129

339.623 0.169789

109.553 0.514621

38.7773 0.379817

Na S

38.7773 0.374762

14.5759 0.575769

5.26993 0.112933

Na S

1.82777 1.000000

Na S

0.619948 1.000000

Na S

0.057240 1.000000

Na S

0.024048 1.000000

Na P

144.645 0.011485

33.9074 0.082383

10.6285 0.319658

3.82389 0.701295

Na P

1.44429 0.638506

0.552621 0.425365

Na SP

0.0076000 1.0000000 1.0000000

Na P

0.188720 1.000000

Na P

0.046501 1.000000

Na P

0.016285 1.000000

Na D

0.1750000 1.0000000

#BASIS SET: (14s,10p,1d) -> [7s,6p,1d]

Mg S

43866.5 0.000918

6605.37 0.007047

1513.26 0.035941

432.317 0.141461

142.149 0.426764

51.3983 0.497975

Mg S

51.3983 0.251355

19.9196 0.618671

8.02474 0.188417

Mg S

2.50817 1.000000

Mg S

0.871531 1.000000

Mg S

0.108188 1.000000

Mg S

0.040130 1.000000

Mg P

193.854 0.010188

45.4420 0.075360

14.1864 0.307419

5.05751 0.717575

Mg P

1.888610 0.667339

0.722652 0.394649

Mg SP

0.0146000 1.0000000 1.0000000

Mg P

0.236417 1.000000

Mg P

0.093358 1.000000

Mg P

0.034809 1.000000

Mg D

0.1750000 1.0000000

#BASIS SET: (14s,10p,1d) -> [7s,6p,1d]

Al S

54866.489 0.000839

8211.7665 0.006527

1866.1761 0.033666

531.12934 0.132902

175.11797 0.401266

64.005500 0.531338

Al S

64.005500 0.202305

25.292507 0.624790

10.534910 0.227439

Al S

3.2067110 1.000000

Al S

1.152555 1.000000

Al S

0.1766780 1.000000

Al S

0.0652370 1.000000

Al P

259.28362 0.009448

61.076870 0.070974

19.303237 0.295636

7.0108820 0.728219

Al P

2.6738650 0.644467

1.0365960 0.417413

Al SP

0.0318000 1.0000000 1.0000000

Al P

0.3168190 1.000000

Al P

0.1142570 1.000000

Al P

0.041397 1.000000

Al D

0.3250000 1.0000000

#BASIS SET: (14s,10p,1d) -> [7s,6p,1d]

Si S

69379.230 0.000757

10354.940 0.005932

2333.8796 0.031088

657.14295 0.124967

214.30113 0.386897

77.629168 0.554888

Si S

77.629168 0.177881

30.630807 0.627765

12.801295 0.247623

Si S

3.9268660 1.000000

Si S

1.4523430 1.000000

Si S

0.256234 1.000000

Si S

0.094279 1.000000

Si P

335.48319 0.008866

78.900366 0.068299

24.988150 0.290958

9.2197110 0.732117

Si P

3.6211400 0.619879

1.4513100 0.439148

Si SP

0.0331000 1.0000000 1.0000000

Si P

0.504977 1.000000

Si P

0.186317 1.000000

Si P

0.065432 1.000000

Si D

0.4500000 1.0000000

#BASIS SET: (14s,10p,1d) -> [7s,6p,1d]

P S

77492.4 0.000781

11605.8 0.006068

2645.96 0.031160

754.976 0.123431

248.755 0.378209

91.1565 0.563262

P S

91.1565 0.160255

36.2257 0.627647

15.2113 0.263849

P S

4.79417 1.000000

P S

1.80793 1.000000

P S

0.356816 1.000000

P S

0.114783 1.000000

P P

384.843 0.009206

90.5521 0.069874

29.1339 0.292470

10.8862 0.728103

P P

4.35259 0.628349

1.77706 0.428044

P SP

0.0348000 1.0000000 1.0000000

P P

0.697005 1.000000

P P

0.253532 1.000000

P P

0.068493 1.000000

P D

0.5500000 1.0000000

#BASIS SET: (14s,10p,1d) -> [7s,6p,1d]

S S

93413.4 0.000743

13961.7 0.005793

3169.91 0.029954

902.456 0.119028

297.158 0.368432

108.702 0.577299

S S

108.702 0.143186

43.1553 0.624465

18.1079 0.283366

S S

5.56009 1.000000

S S

2.13183 1.000000

S S

0.420403 1.000000

S S

0.136045 1.000000

S P

495.040 0.008309

117.221 0.064024

37.7749 0.277614

14.0584 0.745076

S P

5.56574 0.613712

2.26297 0.443818

S SP

0.0405000 1.0000000 1.0000000

S P

0.807994 1.000000

S P

0.277460 1.000000

S P

0.077141 1.000000

S D

0.6500000 1.0000000

#BASIS SET: (14s,11p,1d) -> [7s,6p,1d]

Cl S

105819.0 0.000738

15872.00 0.005718

3619.650 0.029495

1030.800 0.117286

339.9080 0.362949

124.5380 0.584149

Cl S

124.5380 0.134177

49.51350 0.624250

20.80560 0.291756

Cl S

6.583460 1.000000

Cl S

2.564680 1.000000

Cl S

0.559763 1.000000

Cl S

0.183273 1.000000

Cl P

589.7760 0.002391

139.8490 0.018504

45.14130 0.081377

16.87330 0.221552

6.741100 0.772569

Cl P

6.741100 -1.572244

2.771520 0.992389

Cl SP

0.0483000 1.0000000 1.0000000

Cl P

1.023870 1.000000

Cl P

0.381368 1.000000

Cl P

0.109437 1.000000

Cl D

0.7500000 1.0000000

#BASIS SET: (14s,11p,1d) -> [7s,6p,1d]

Ar S

118022.38 0.000747

17683.541 0.005790

4027.7657 0.029919

1145.3977 0.119206

377.16375 0.369028

138.15969 0.576459

Ar S

138.15969 0.143927

54.989117 0.622938

23.170667 0.283964

Ar S

7.3778600 1.000000

Ar S

2.9236880 1.000000

Ar S

0.6504050 1.000000

Ar S

0.2328250 1.000000

Ar P

663.06201 0.003082

157.09281 0.024165

50.231100 0.108223

18.635345 0.294192

7.4465370 0.687862

Ar P

7.4465370 -0.1214482

3.0956980 0.1632370

Ar SP

0.0600000 1.0000000 1.0000000

Ar P

1.1064630 1.000000

Ar P

0.4156010 1.000000

Ar P

0.1454490 1.000000

Ar D

0.8500000 1.0000000

#BASIS SET: (15s,12p,4d) -> [9s,8p,2d]

K S

182594. 0.000227747

27369.0 0.00176640

6229.17 0.00919497

1764.58 0.03745510

577.051 0.12204500

210.249 0.29899000

K S

82.6178 0.405147

33.2332 0.292532

K S

8.10649 1.000000

K S

3.33403 1.000000

K S

0.845544 1.000000

K S

0.3282160 1.000000

K S

0.0364035 1.000000

K S

0.0176463 1.000000

K P

891.054 0.00218429

211.016 0.0175891

67.6714 0.0817775

K P

25.2715 0.245656

10.1390 0.433984

4.20186 0.362377

K SP

0.0047000 1.0000000 1.0000000

K P

1.62507 1.000000

K P

0.64377 1.000000

K P

0.24613 1.000000

K P

0.04544 1.000000

K P

0.01616 1.000000

K D

13.37 0.0316016

3.421 0.156879

1.063 0.390582

K D

0.229000 1.000000

#BASIS SET: (15s,12p,4d) -> [9s,8p,2d]

Ca S

202699. 0.000222964

30382.5 0.00172932

6915.08 0.00900226

1959.02 0.0366699

640.936 0.119410

233.977 0.291825

Ca S

92.2892 0.404415

37.2545 0.296313

Ca S

9.13198 1.000000

Ca S

3.81779 1.000000

Ca S

1.04935 1.000000

Ca S

0.428660 1.000000

Ca S

0.0628226 1.000000

Ca S

0.0260162 1.000000

Ca P

1019.76 0.00205986

241.596 0.01665010

77.6370 0.07776460

Ca P

29.1154 0.241806

11.7626 0.432578

4.92289 0.367325

Ca SP

0.0071000 1.0000000 1.0000000

Ca P

1.90645 1.000000

Ca P

0.73690 1.000000

Ca P

0.27642 1.000000

Ca P

0.06027 1.000000

Ca P

0.01791 1.000000

Ca D

15.08 0.0368947

3.926 0.1778200

1.233 0.4255130

Ca D

0.260000 1.000000

END