Calcium Basis-Sets:

Ca_86-511d3G_catti_1991

20 6
0 0 8 2. 1.
 191300. 0.0002204
 26970. 0.001925
 5696. 0.01109
 1489.4 0.04995
 448.3 0.17014
 154.62 0.3685
 60.37 0.4034
 25.09 0.1452
0 1 6 8. 1.
 448.6 -0.00575 0.00847
 105.7 -0.0767 0.06027
 34.69 -0.1122 0.2124
 13.50 0.2537 0.3771
 5.820 0.688 0.401
 1.819 0.349 0.198
0 1 5 8. 1.
 20.75 -0.0020 -0.0365
 8.40 -0.1255 -0.0685
 3.597 -0.6960 0.1570
 1.408 1.029 1.482
 0.726 0.944 1.025
0 1 1 2. 1.
 0.453 1. 1.
0 1 1 0. 1.
 0.246 1. 1.
0 3 3 0. 1.
 3.191 0.16
 0.8683 0.313
 0.3191 0.406

M. Catti, R. Dovesi, A. Pavese and V. R. Saunders, 
``Elastic constants and electronic structure of fluorite (CaF2): an ab initio Hartree-Fock study'',
J. Phys. Condens. Matter 3, 4151-4164 (1991).

Ca_86-511d21G_valenzano_2006 
20 7
0 0 8 2. 1.
 191300. 0.0002204
 26970. 0.001925
 5696. 0.01109
 1489.4 0.04995
 448.3 0.17014
 154.62 0.3685
 60.37 0.4034
 25.09 0.1452
0 1 6 8. 1.
 448.6 -0.00575 0.00847
 105.7 -0.0767 0.06027
 34.69 -0.1122 0.2124
 13.50 0.2537 0.3771
 5.820 0.688 0.401
 1.819 0.349 0.198
0 1 5 8. 1.
 20.75 -0.0020 -0.0365
 8.40 -0.1255 -0.0685
 3.597 -0.6960 0.1570
 1.408 1.029 1.482
 0.726 0.944 1.025
0 1 1 2. 1.
 0.453 1. 1.
0 1 1 0. 1.
 0.295 1. 1.
0 3 2 0. 1.
 3.1910 0.160
 0.8683 0.313
0 3 1 0. 1.
 0.2891 0.406

L. Valenzano, F.J. Torres, K. Doll, F. Pascale, C.M. Zicovich-Wilson, R. Dovesi,
"Ab Initio study of the vibrational spectrum and related properties of crystalline compounds; the case of CaCO3 calcite",
Z. Phys. Chem. 220, 893-912 (2006).

Ca2+_SC-31G_doll_2010 
220 5
INPUT
10. 0 2 2 2 1 0
 11.231672 138.785174 0
 4.671960 16.504244 0
 11.156907 83.123664 0
 4.810141 13.502272 0
 13.754728 -16.201965 0
 4.762470 -1.132390 0
 12.765846 -26.728178 0
0 0 3 2.0 1
 12.3075210 0.0587400
 4.3931510 -0.4013440
 0.9379750 0.5928750
0 0 1 2.0 1
 0.4216880 1.0
0 0 1 0.0 1
 0.2 1.0
0 2 3 6.0 1
 5.9742860 -0.0823020
 1.5674060 0.3465110
 0.6562420 0.5601470
0 2 1 0.0 1
 0.2584980 1.0

A. Kulkarni, K. Doll, J. C. Schoen, and M. Jansen
Global Exploration of the Enthalpy Landscape of Calcium Carbide
J. Phys. Chem. B 114, 15573 (2010)

based on the pseudopotential and basis set from:
M. Kaupp, P. V. R. Schleyer, H. Stoll, H . Preuss, J. Chem. Phys. 94, 1360 (1991)

Ca_SC_HAYWSC-31d1G_habas_1998 
220 3
HAYWSC
0 1 3 8. 1.
 5.3568 -1.4687 -0.0794
 1.71 -1.8752 0.2902
 1.0 3.4301 0.1427
0 1 1 2. 1.
 0.500 1.0 1.0
0 3 1 0. 1.
 0.620 1.0

M.P. Habas, R. Dovesi and A. Lichanot, 
``B1-B2 phase transition in alkaline-earth oxides: a comparison of ab initio Hartree-Fock and density functional calculations'',
J. Phys. Cond. Matter 10, 6897-6909 (1998).

- without d functions:
 M. Corno, C. Busco, B. Civalleri and P. Ugliengo, 
 ``Periodic ab initio study of structural and vibrational features of 
 hexagonal hydroxyapatite Ca10(PO4)6(OH)2'' 
 Physical Chemistry Chemical Physics 8, 2464-2472 (2006).

Ca_pob_TZVP_2012

20 11
0 0 8 2.0 1.0
 172517.326850 0.00023317502546
 25861.5192750 0.00180765219800
 5885.66186680 0.00939438442550
 1665.97300310 0.03810840900900
 542.367181480 0.12331203853000
 194.578034920 0.29004470954000
 75.3035976360 0.40587151157000
29.5740625890 0.20398410743000
0 0 4 2.0 1.0
 191.200746600 -0.02441975975900
 58.8402998830 -0.11547027448000
 8.96425408450 0.56356636717000
 3.68569605410 0.56709682704000
0 0 2 2.0 1.0
 5.24642897260 -0.22825334325000
 0.84862621528 0.72625219172000
0 0 1 2.0 1.0
 1.30710626000 1.00000000000000
0 0 1 0.0 1.0
 0.38027232000 1.00000000000000
0 0 1 0.0 1.0
 0.16014616000 1.00000000000000
0 2 6 6.0 1.0
 836.972620580 0.00252583460920
 197.930401420 0.02007650668600
 63.1355580540 0.09130298736600
 23.2826871700 0.25247029915000
 9.11764449320 0.39426326344000
 3.63361201390 0.23011559492000
0 2 3 6.0 1.0
 13.4941631200 -0.02649502195100
 1.81392597900 0.55088108210000
 0.71981826006 1.02806166200000
0 2 1 0.0 1.0
 0.36108303000 1.00000000000000
0 2 1 0.0 1.0
 0.16029529000 1.00000000000000
0 3 1 0.0 1.0
 0.78864471000 1.00000000000000

M. F. Peintinger, D. Vilela Oliveira, and T. Bredow
"Consistent Gaussian Basis Sets of Triple-Zeta Valence with 
Polarization Quality for Solid-State Calculations",
Journal of Computational Chemistry 2012, DOI: 10.1002/jcc.23153

Ca_m-S-RSC_Heyd_2005

220 10
INPUT
10. 0 2 2 2 1 0
 11.231672 138.785174 0
 4.671960 16.504244 0
 11.156907 83.123664 0
 4.810141 13.502272 0
 13.754728 -16.201965 0
 4.762470 -1.132390 0
 12.765846 -26.728178 0
0 0 3 2 1.
       12.3075210         0.587400000E-01
       4.39315100        -0.401344000
      0.937975000         0.592875000
0 0 1 2 1.
      0.421688000          1.00000000
0 0 1 0 1.
      0.250000000          1.00000000
0 0 1 0 1.
      0.120000000          1.00000000
0 2 3 6 1.
       5.97428600        -0.823020000E-01
       1.56740600         0.346511000
      0.656242000         0.560147000
0 2 1 0 1.
      0.258498000          1.00000000
0 2 1 0 1.
      0.120000000          1.00000000
0 3 3 0 1.
       7.23170000         0.503600000E-01
       1.96486900         0.173343000
      0.620303000         0.301978000
0 3 1 0 1.
      0.250000000          1.00000000
0 3 1 0 1.
      0.120000000          1.00000000

For calculations with HF and hybrid functionals,
it is strongly suggested to use:

TOLINTEG
7 7 7 9 30


Heyd, J.; Peralta, J. E.; Scuseria, G. E.; Martin, R. L.
Energy Band Gaps and Lattice Parameters Evaluated with the
Heyd-Scuseria-Ernzerhof Screened Hybrid Functional.
J. Chem. Phys. 2005, 123, 174101

Recently used:not used

Ca_pob_DZVP_rev2

20 9
0 0 6 2 1
  35138.713929      0.003948252074
  5276.4111348      0.030234243552
  1200.4692589      0.149520196810
  338.71810542      0.515973457130
  109.85385922      1.033951029600
  37.608880299      0.769379335260
0 0 3 2 1
  73.107977555     -0.282685250110
  8.2407705688      1.679609214200
  3.2959812993      1.280376601600
0 0 3 2 1
  5.23418009140    -0.007686860456
  0.84187220515     0.025382375978
  0.36510294029     0.016512171511
0 0 1 2 1
  0.3207089200      1.000000000000
0 0 1 0 1
  0.1400001600      1.000000000000
0 2 5 6 1
  413.11313893      0.020327135354
  96.935786224      0.147302763620
  30.372154659      0.548871673220
  10.684776830      1.044065981800
  3.8821258350      0.686534906840
0 2 3 6 1
  1.7993016295      0.754102468710
  0.6918905653      1.340929659900
  0.2636402410      0.563919894350
0 2 1 0 1
  0.1400000000      1.000000000000
0 3 1 0 1
  0.5251112100      1.000000000000

D. Vilela Oliveira, M. F. Peintinger, J. Laun, and T. Bredow
"BSSE-correction scheme for consistent gaussian basis sets of double- and triple-zeta valence with polarization quality for solid-state calculations",
Journal of Computational Chemistry 2019, 40, 2364–2376 DOI: 10.1002/jcc.26013

Ca_pob_TZVP_rev2

20 11
0 0 8 2.0 1.0
  172517.326850      0.00023317502546
  25861.5192750      0.00180765219800
  5885.66186680      0.00939438442550
  1665.97300310      0.03810840900900
  542.367181480      0.12331203853000
  194.578034920      0.29004470954000
  75.3035976360      0.40587151157000
  29.5740625890      0.20398410743000
0 0 4 2.0 1.0
  191.200746600     -0.02441975975900
  58.8402998830     -0.11547027448000
  8.96425408450      0.56356636717000
  3.68569605410      0.56709682704000
0 0 2 2.0 1.0
  5.24642897260     -0.22825334325000
  1.34862621528      0.72625219172000
0 0 1 2.0 1.0
  0.70710626000      1.00000000000000
0 0 1 0.0 1.0
  0.30027232000      1.00000000000000
0 0 1 0.0 1.0
  0.14014616000      1.00000000000000
0 2 6 6.0 1.0
  836.972620580      0.00252583460920
  197.930401420      0.02007650668600
  63.1355580540      0.09130298736600
  23.2826871700      0.25247029915000
  9.11764449320      0.39426326344000
  3.63361201390      0.23011559492000
0 2 3 6.0 1.0
  13.4941631200     -0.02649502195100
  1.81392597900      0.55088108210000
  0.71981826006      1.02806166200000
0 2 1 0.0 1.0
  0.36108303000      1.00000000000000
0 2 1 0.0 1.0
  0.15029529000      1.00000000000000
0 3 1 0.0 1.0
  0.98864471000      1.00000000000000


D. Vilela Oliveira, M. F. Peintinger, J. Laun, and T. Bredow
"BSSE-correction scheme for consistent gaussian basis sets of double- and triple-zeta valence with polarization quality for solid-state calculations",
Journal of Computational Chemistry 2019, 40, 2364–2376 DOI: 10.1002/jcc.26013