MOLPRO Basis Query, element=Ti, basis=cc-pVQZ-DK, l=s
Basis Ti s cc-pVQZ-DK
| Primitives | Contractions... |
|---|
| 9317034.000000 | 0.000048 | -0.000027 | 0.000006 | -0.000001 | -0.000002 | -0.000004 | -0.000004 | 0.000000 |
| 1394971.000000 | 0.000137 | -0.000078 | 0.000016 | -0.000004 | -0.000007 | -0.000011 | -0.000012 | 0.000000 |
| 317453.100000 | 0.000369 | -0.000209 | 0.000043 | -0.000010 | -0.000019 | -0.000029 | -0.000033 | 0.000000 |
| 89921.000000 | 0.000918 | -0.000522 | 0.000106 | -0.000025 | -0.000047 | -0.000074 | -0.000080 | 0.000000 |
| 29338.160000 | 0.002265 | -0.001290 | 0.000263 | -0.000062 | -0.000114 | -0.000177 | -0.000208 | 0.000000 |
| 10592.660000 | 0.005637 | -0.003222 | 0.000659 | -0.000156 | -0.000298 | -0.000472 | -0.000477 | 0.000000 |
| 4132.056000 | 0.014206 | -0.008158 | 0.001672 | -0.000397 | -0.000710 | -0.001094 | -0.001380 | 0.000000 |
| 1714.235000 | 0.035160 | -0.020459 | 0.004250 | -0.001008 | -0.001966 | -0.003132 | -0.002934 | 0.000000 |
| 747.915100 | 0.081336 | -0.048444 | 0.010228 | -0.002426 | -0.004239 | -0.006471 | -0.008836 | 0.000000 |
| 340.199100 | 0.164313 | -0.103399 | 0.022863 | -0.005431 | -0.010891 | -0.017534 | -0.014835 | 0.000000 |
| 160.206000 | 0.262732 | -0.184186 | 0.043715 | -0.010386 | -0.017317 | -0.025995 | -0.041237 | 0.000000 |
| 77.588510 | 0.274763 | -0.243966 | 0.066760 | -0.015946 | -0.034652 | -0.057483 | -0.035313 | 0.000000 |
| 38.044890 | 0.143381 | -0.155092 | 0.046623 | -0.011136 | -0.010691 | -0.011200 | -0.074560 | 0.000000 |
| 17.353620 | 0.069926 | 0.187917 | -0.088247 | 0.021281 | 0.015581 | 0.011470 | 0.156622 | 0.000000 |
| 8.642062 | 0.121733 | 0.536126 | -0.341497 | 0.086820 | 0.224512 | 0.408642 | 0.197097 | 0.000000 |
| 4.304404 | 0.085408 | 0.367991 | -0.359444 | 0.094619 | 0.088664 | 0.125764 | 0.763356 | 0.000000 |
| 1.937718 | 0.010957 | 0.049409 | 0.237022 | -0.073697 | 0.015969 | -0.161293 | -2.134411 | 0.000000 |
| 0.936594 | -0.000362 | -0.003825 | 0.687435 | -0.241218 | -1.051999 | -2.235015 | 0.404951 | 0.000000 |
| 0.432624 | 0.000095 | 0.000087 | 0.350025 | -0.256365 | 0.367729 | 2.857385 | 2.115322 | 0.000000 |
| 0.107352 | -0.000031 | -0.000308 | 0.017904 | 0.316867 | 2.002432 | -0.482688 | -5.082182 | 0.000000 |
| 0.052034 | 0.000039 | 0.000285 | -0.005438 | 0.606201 | -1.226314 | -1.878887 | 6.442350 | 0.000000 |
| 0.024038 | -0.000003 | -0.000048 | 0.002537 | 0.248720 | -0.566706 | 1.743905 | -2.939856 | 1.000000 |
Comment: N.B. Balabanov and K.A. Peterson, J. Chem. Phys. 123, 064107 (2005)