MOLPRO Basis Query, element=Hf, basis=AwCV5Z-PP, l=s
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.
Basis Hf s AwCV5Z-PP
Primitives | Contractions... |
127.748000 | -0.000265 | 0.000050 | -0.000215 | -0.000205 | -0.000436 | -0.006539 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
79.471600 | 0.001860 | -0.000402 | 0.001327 | 0.000650 | 0.001777 | 0.033023 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
45.445500 | -0.013681 | 0.003456 | -0.008281 | 0.002351 | -0.001515 | -0.131956 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
28.381500 | 0.078922 | -0.021956 | 0.043705 | -0.039425 | -0.032730 | 0.396538 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
17.726800 | -0.329426 | 0.096756 | -0.178480 | 0.219768 | 0.222895 | -1.013642 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.070900 | 0.734146 | -0.222762 | 0.405401 | -0.544025 | -0.572391 | 1.945838 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
6.894590 | -0.483541 | 0.151150 | -0.288666 | 0.355848 | 0.343933 | -1.787213 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.548640 | -0.552667 | 0.180240 | -0.280959 | 0.615769 | 0.781405 | 0.240874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.966970 | -0.004826 | 0.008155 | -0.123897 | -0.043528 | 0.462606 | -4.110130 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.189670 | 0.429513 | -0.168152 | 0.506493 | -0.628580 | -2.782066 | 17.467104 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.722518 | 0.570533 | -0.261393 | 0.480897 | -2.664498 | -3.121679 | -23.303930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.416445 | 0.311526 | -0.284120 | 0.924808 | 2.667775 | 11.668826 | 11.925781 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.230805 | 0.048776 | -0.003980 | -1.661372 | 2.290139 | -9.703682 | 1.706366 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.103799 | 0.001465 | 0.469096 | -1.151635 | -3.599904 | 1.906539 | -7.757854 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.049717 | -0.001437 | 0.581182 | 1.228122 | 0.609706 | 2.498818 | 7.232240 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.023770 | -0.000224 | 0.160114 | 0.387793 | 0.918587 | -1.989735 | -2.916397 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
4.455000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
2.700000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: basis set from gbasis database, Figgen et al, Ref 48.