MOLPRO Basis Query, element=Ba, basis=VQZ-PP, l=s

Basis Ba s VQZ-PP
PrimitivesContractions...
40.9251000.002007-0.0006490.0000000.0000000.0000000.000000
25.506800-0.0083130.0026290.0000000.0000000.0000000.000000
15.8241000.025569-0.0081350.0000000.0000000.0000000.000000
9.868360-0.0588600.0194330.0000000.0000000.0000000.000000
6.1633500.014650-0.0073130.0000000.0000000.0000000.000000
3.8497100.393602-0.1284480.0000000.0000000.0000000.000000
2.353700-0.6498820.2297430.0000000.0000000.0000000.000000
1.160820-0.4558170.1449670.0000000.0000000.0000000.000000
0.6880060.526784-0.1913480.0000000.0000000.0000000.000000
0.3384950.765741-0.3855670.0000000.0000000.0000000.000000
0.1735430.238949-0.2740731.0000000.0000000.0000000.000000
0.0631020.0070370.3675660.0000001.0000000.0000000.000000
0.031180-0.0013350.6756130.0000000.0000001.0000000.000000
0.0150780.0002750.2166150.0000000.0000000.0000001.000000
Comment: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)



Basis Ba s VQZ-PP
PrimitivesContractions...
40.9251000.002007-0.0006490.0000000.0000000.0000000.000000
25.506800-0.0083130.0026290.0000000.0000000.0000000.000000
15.8241000.025569-0.0081350.0000000.0000000.0000000.000000
9.868360-0.0588600.0194330.0000000.0000000.0000000.000000
6.1633500.014650-0.0073130.0000000.0000000.0000000.000000
3.8497100.393602-0.1284480.0000000.0000000.0000000.000000
2.353700-0.6498820.2297430.0000000.0000000.0000000.000000
1.160820-0.4558170.1449670.0000000.0000000.0000000.000000
0.6880060.526784-0.1913480.0000000.0000000.0000000.000000
0.3384950.765741-0.3855670.0000000.0000000.0000000.000000
0.1735430.238949-0.2740731.0000000.0000000.0000000.000000
0.0631020.0070370.3675660.0000001.0000000.0000000.000000
0.031180-0.0013350.6756130.0000000.0000001.0000000.000000
0.0150780.0002750.2166150.0000000.0000000.0000001.000000
Comment: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)



Basis Ba s VQZ-PP
PrimitivesContractions...
40.9251000.002007-0.0006490.0000000.0000000.0000000.000000
25.506800-0.0083130.0026290.0000000.0000000.0000000.000000
15.8241000.025569-0.0081350.0000000.0000000.0000000.000000
9.868360-0.0588600.0194330.0000000.0000000.0000000.000000
6.1633500.014650-0.0073130.0000000.0000000.0000000.000000
3.8497100.393602-0.1284480.0000000.0000000.0000000.000000
2.353700-0.6498820.2297430.0000000.0000000.0000000.000000
1.160820-0.4558170.1449670.0000000.0000000.0000000.000000
0.6880060.526784-0.1913480.0000000.0000000.0000000.000000
0.3384950.765741-0.3855670.0000000.0000000.0000000.000000
0.1735430.238949-0.2740731.0000000.0000000.0000000.000000
0.0631020.0070370.3675660.0000001.0000000.0000000.000000
0.031180-0.0013350.6756130.0000000.0000001.0000000.000000
0.0150780.0002750.2166150.0000000.0000000.0000001.000000
Comment: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)



Basis Ba s VQZ-PP
PrimitivesContractions...
40.9251000.002007-0.0006490.0000000.0000000.0000000.000000
25.506800-0.0083130.0026290.0000000.0000000.0000000.000000
15.8241000.025569-0.0081350.0000000.0000000.0000000.000000
9.868360-0.0588600.0194330.0000000.0000000.0000000.000000
6.1633500.014650-0.0073130.0000000.0000000.0000000.000000
3.8497100.393602-0.1284480.0000000.0000000.0000000.000000
2.353700-0.6498820.2297430.0000000.0000000.0000000.000000
1.160820-0.4558170.1449670.0000000.0000000.0000000.000000
0.6880060.526784-0.1913480.0000000.0000000.0000000.000000
0.3384950.765741-0.3855670.0000000.0000000.0000000.000000
0.1735430.238949-0.2740731.0000000.0000000.0000000.000000
0.0631020.0070370.3675660.0000001.0000000.0000000.000000
0.031180-0.0013350.6756130.0000000.0000001.0000000.000000
0.0150780.0002750.2166150.0000000.0000000.0000001.000000
Comment: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)



Basis Ba s VQZ-PP
PrimitivesContractions...
40.9251000.002007-0.0006490.0000000.0000000.0000000.000000
25.506800-0.0083130.0026290.0000000.0000000.0000000.000000
15.8241000.025569-0.0081350.0000000.0000000.0000000.000000
9.868360-0.0588600.0194330.0000000.0000000.0000000.000000
6.1633500.014650-0.0073130.0000000.0000000.0000000.000000
3.8497100.393602-0.1284480.0000000.0000000.0000000.000000
2.353700-0.6498820.2297430.0000000.0000000.0000000.000000
1.160820-0.4558170.1449670.0000000.0000000.0000000.000000
0.6880060.526784-0.1913480.0000000.0000000.0000000.000000
0.3384950.765741-0.3855670.0000000.0000000.0000000.000000
0.1735430.238949-0.2740731.0000000.0000000.0000000.000000
0.0631020.0070370.3675660.0000001.0000000.0000000.000000
0.031180-0.0013350.6756130.0000000.0000001.0000000.000000
0.0150780.0002750.2166150.0000000.0000000.0000001.000000
Comment: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)



Basis Ba s VQZ-PP
PrimitivesContractions...
40.9251000.002007-0.0006490.0000000.0000000.0000000.000000
25.506800-0.0083130.0026290.0000000.0000000.0000000.000000
15.8241000.025569-0.0081350.0000000.0000000.0000000.000000
9.868360-0.0588600.0194330.0000000.0000000.0000000.000000
6.1633500.014650-0.0073130.0000000.0000000.0000000.000000
3.8497100.393602-0.1284480.0000000.0000000.0000000.000000
2.353700-0.6498820.2297430.0000000.0000000.0000000.000000
1.160820-0.4558170.1449670.0000000.0000000.0000000.000000
0.6880060.526784-0.1913480.0000000.0000000.0000000.000000
0.3384950.765741-0.3855670.0000000.0000000.0000000.000000
0.1735430.238949-0.2740731.0000000.0000000.0000000.000000
0.0631020.0070370.3675660.0000001.0000000.0000000.000000
0.031180-0.0013350.6756130.0000000.0000001.0000000.000000
0.0150780.0002750.2166150.0000000.0000000.0000001.000000
Comment: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)



Basis Ba s VQZ-PP
PrimitivesContractions...
40.9251000.002007-0.0006490.0000000.0000000.0000000.000000
25.506800-0.0083130.0026290.0000000.0000000.0000000.000000
15.8241000.025569-0.0081350.0000000.0000000.0000000.000000
9.868360-0.0588600.0194330.0000000.0000000.0000000.000000
6.1633500.014650-0.0073130.0000000.0000000.0000000.000000
3.8497100.393602-0.1284480.0000000.0000000.0000000.000000
2.353700-0.6498820.2297430.0000000.0000000.0000000.000000
1.160820-0.4558170.1449670.0000000.0000000.0000000.000000
0.6880060.526784-0.1913480.0000000.0000000.0000000.000000
0.3384950.765741-0.3855670.0000000.0000000.0000000.000000
0.1735430.238949-0.2740731.0000000.0000000.0000000.000000
0.0631020.0070370.3675660.0000001.0000000.0000000.000000
0.031180-0.0013350.6756130.0000000.0000001.0000000.000000
0.0150780.0002750.2166150.0000000.0000000.0000001.000000
Comment: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)



Basis Ba s VQZ-PP
PrimitivesContractions...
40.9251000.002007-0.0006490.0000000.0000000.0000000.000000
25.506800-0.0083130.0026290.0000000.0000000.0000000.000000
15.8241000.025569-0.0081350.0000000.0000000.0000000.000000
9.868360-0.0588600.0194330.0000000.0000000.0000000.000000
6.1633500.014650-0.0073130.0000000.0000000.0000000.000000
3.8497100.393602-0.1284480.0000000.0000000.0000000.000000
2.353700-0.6498820.2297430.0000000.0000000.0000000.000000
1.160820-0.4558170.1449670.0000000.0000000.0000000.000000
0.6880060.526784-0.1913480.0000000.0000000.0000000.000000
0.3384950.765741-0.3855670.0000000.0000000.0000000.000000
0.1735430.238949-0.2740731.0000000.0000000.0000000.000000
0.0631020.0070370.3675660.0000001.0000000.0000000.000000
0.031180-0.0013350.6756130.0000000.0000001.0000000.000000
0.0150780.0002750.2166150.0000000.0000000.0000001.000000
Comment: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)