MOLPRO Basis Query, element=Br, basis=aug-cc-pwCVQZ-DK, l=s
Basis Br s aug-cc-pwCVQZ-DK
Primitives | Contractions... |
16475000.000000 | 0.000133 | -0.000043 | 0.000017 | -0.000005 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
2466600.000000 | 0.000367 | -0.000118 | 0.000047 | -0.000015 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
561310.000000 | 0.000949 | -0.000307 | 0.000123 | -0.000038 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
158990.000000 | 0.002246 | -0.000729 | 0.000291 | -0.000089 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
51869.000000 | 0.005207 | -0.001698 | 0.000678 | -0.000208 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
18726.000000 | 0.012010 | -0.003948 | 0.001578 | -0.000485 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
7303.600000 | 0.027901 | -0.009308 | 0.003729 | -0.001149 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3029.100000 | 0.063897 | -0.021941 | 0.008818 | -0.002708 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1320.800000 | 0.136862 | -0.049723 | 0.020146 | -0.006224 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
600.030000 | 0.250235 | -0.101981 | 0.041930 | -0.012900 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
281.900000 | 0.336875 | -0.171144 | 0.072712 | -0.022698 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
135.540000 | 0.257752 | -0.180278 | 0.080625 | -0.024905 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
64.870000 | 0.069575 | 0.047369 | -0.025225 | 0.007262 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
32.129000 | 0.000798 | 0.487963 | -0.319966 | 0.108384 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
16.037000 | 0.001449 | 0.500649 | -0.479489 | 0.165009 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
7.784900 | -0.000701 | 0.120840 | 0.057275 | -0.020123 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.724700 | 0.000293 | 0.003212 | 0.725343 | -0.364457 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.758300 | -0.000145 | 0.001594 | 0.458854 | -0.396772 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.583310 | 0.000060 | -0.000361 | 0.027935 | 0.371891 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.278560 | -0.000034 | 0.000162 | -0.005195 | 0.660219 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.118290 | 0.000009 | -0.000053 | 0.001289 | 0.235739 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.117500 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
6.375000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
13.036300 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.044270 | 0.000000 | 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