MOLPRO Basis Query, element=Ti, basis=aug-cc-pVQZ, l=s
Basis Ti s aug-cc-pVQZ
Primitives | Contractions... |
9317034.000000 | 0.000002 | -0.000001 | 0.000000 | -0.000000 | -0.000000 | -0.000000 | -0.000000 | 0.000000 | 0.000000 |
1394971.000000 | 0.000015 | -0.000009 | 0.000002 | -0.000000 | -0.000001 | -0.000001 | -0.000001 | 0.000000 | 0.000000 |
317453.100000 | 0.000081 | -0.000046 | 0.000009 | -0.000002 | -0.000004 | -0.000006 | -0.000007 | 0.000000 | 0.000000 |
89921.000000 | 0.000340 | -0.000195 | 0.000039 | -0.000009 | -0.000017 | -0.000028 | -0.000029 | 0.000000 | 0.000000 |
29338.160000 | 0.001238 | -0.000712 | 0.000142 | -0.000034 | -0.000060 | -0.000094 | -0.000116 | 0.000000 | 0.000000 |
10592.660000 | 0.004028 | -0.002322 | 0.000465 | -0.000110 | -0.000210 | -0.000338 | -0.000333 | 0.000000 | 0.000000 |
4132.056000 | 0.011925 | -0.006900 | 0.001384 | -0.000327 | -0.000576 | -0.000894 | -0.001155 | 0.000000 | 0.000000 |
1714.235000 | 0.032156 | -0.018838 | 0.003827 | -0.000904 | -0.001752 | -0.002842 | -0.002660 | 0.000000 | 0.000000 |
747.915100 | 0.077786 | -0.046640 | 0.009639 | -0.002277 | -0.003935 | -0.006052 | -0.008332 | 0.000000 | 0.000000 |
340.199100 | 0.161203 | -0.102076 | 0.022117 | -0.005227 | -0.010385 | -0.017047 | -0.014626 | 0.000000 | 0.000000 |
160.206000 | 0.261883 | -0.184869 | 0.043150 | -0.010217 | -0.016911 | -0.025498 | -0.040309 | 0.000000 | 0.000000 |
77.588510 | 0.276654 | -0.247960 | 0.067035 | -0.015915 | -0.034110 | -0.057911 | -0.037458 | 0.000000 | 0.000000 |
38.044890 | 0.144297 | -0.163486 | 0.049464 | -0.011828 | -0.012204 | -0.012718 | -0.073760 | 0.000000 | 0.000000 |
17.353620 | 0.069931 | 0.177915 | -0.083335 | 0.020120 | 0.013975 | 0.006261 | 0.144327 | 0.000000 | 0.000000 |
8.642062 | 0.125945 | 0.535174 | -0.338444 | 0.085266 | 0.217621 | 0.408031 | 0.211903 | 0.000000 | 0.000000 |
4.304404 | 0.090258 | 0.375282 | -0.367407 | 0.096935 | 0.095327 | 0.128426 | 0.747419 | 0.000000 | 0.000000 |
1.937718 | 0.012004 | 0.052170 | 0.224706 | -0.070827 | 0.017825 | -0.123129 | -2.031080 | 0.000000 | 0.000000 |
0.936594 | -0.000398 | -0.003863 | 0.687882 | -0.235974 | -1.016342 | -2.267331 | 0.192269 | 0.000000 | 0.000000 |
0.432624 | 0.000143 | 0.000285 | 0.359444 | -0.262961 | 0.310703 | 2.807507 | 2.287768 | 0.000000 | 0.000000 |
0.107352 | -0.000042 | -0.000350 | 0.019337 | 0.301121 | 1.991786 | -0.302801 | -5.168135 | 0.000000 | 0.000000 |
0.052034 | 0.000048 | 0.000319 | -0.005998 | 0.612507 | -1.142955 | -2.071227 | 6.460323 | 0.000000 | 0.000000 |
0.024038 | -0.000005 | -0.000056 | 0.002828 | 0.257137 | -0.620692 | 1.803625 | -2.915551 | 1.000000 | 0.000000 |
0.011100 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: N.B. Balabanov and K.A. Peterson, J. Chem. Phys. 123, 064107 (2005)