MOLPRO Basis Query, element=Ti, basis=aug-cc-pwCVTZ, l=s
Basis Ti s aug-cc-pwCVTZ
Primitives | Contractions... |
3014643.000000 | 0.000008 | -0.000005 | 0.000001 | -0.000000 | -0.000000 | -0.000001 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
451432.900000 | 0.000063 | -0.000036 | 0.000007 | -0.000002 | -0.000003 | -0.000005 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
102733.800000 | 0.000330 | -0.000189 | 0.000038 | -0.000009 | -0.000016 | -0.000025 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
29098.170000 | 0.001389 | -0.000799 | 0.000159 | -0.000038 | -0.000071 | -0.000115 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
9492.330000 | 0.005028 | -0.002899 | 0.000580 | -0.000137 | -0.000244 | -0.000382 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3426.346000 | 0.016104 | -0.009340 | 0.001878 | -0.000443 | -0.000846 | -0.001380 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1335.896000 | 0.045812 | -0.026975 | 0.005493 | -0.001299 | -0.002282 | -0.003532 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
553.502600 | 0.112861 | -0.068789 | 0.014433 | -0.003407 | -0.006620 | -0.010922 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
240.692500 | 0.224819 | -0.148104 | 0.032964 | -0.007811 | -0.013350 | -0.020296 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
108.729300 | 0.311457 | -0.244525 | 0.061255 | -0.014492 | -0.029558 | -0.050244 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
50.264570 | 0.222499 | -0.241992 | 0.071341 | -0.017081 | -0.024770 | -0.033163 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
22.580040 | 0.072931 | 0.031838 | -0.019731 | 0.004898 | -0.008415 | -0.030981 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
10.714320 | 0.116068 | 0.493269 | -0.274187 | 0.067531 | 0.169385 | 0.324467 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
5.093546 | 0.119477 | 0.493966 | -0.444098 | 0.117332 | 0.150079 | 0.215569 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
2.244183 | 0.020979 | 0.091963 | 0.077761 | -0.029850 | 0.097878 | 0.149962 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.059570 | -0.000509 | -0.005317 | 0.706844 | -0.227763 | -0.965361 | -2.420741 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.468849 | 0.000222 | 0.000809 | 0.441389 | -0.292812 | 0.148972 | 2.530874 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.106143 | -0.000076 | -0.000692 | 0.027998 | 0.266530 | 2.191179 | 0.342360 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.055262 | 0.000077 | 0.000609 | -0.012108 | 0.591241 | -1.243325 | -2.733722 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.025465 | -0.000011 | -0.000131 | 0.004325 | 0.303723 | -0.671192 | 2.006268 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
2.940900 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
0.707200 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011730 | 0.000000 | 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)