MOLPRO Basis Query, element=Es, basis=cc-pVQZ-X2C, l=d
Basis Es d cc-pVQZ-X2C
Primitives | Contractions... |
652262.780000 | 0.000002 | -0.000001 | 0.000001 | 0.000000 | -0.000000 | 0.000000 | -0.000000 | -0.000001 | 0.000000 |
150364.110000 | 0.000014 | -0.000006 | 0.000004 | 0.000001 | -0.000002 | 0.000002 | -0.000002 | -0.000002 | 0.000000 |
46933.820000 | 0.000066 | -0.000027 | 0.000017 | 0.000004 | -0.000008 | 0.000010 | -0.000012 | -0.000016 | 0.000000 |
17337.091000 | 0.000274 | -0.000112 | 0.000068 | 0.000017 | -0.000034 | 0.000045 | -0.000043 | -0.000033 | 0.000000 |
7196.160300 | 0.001049 | -0.000431 | 0.000263 | 0.000064 | -0.000130 | 0.000162 | -0.000190 | -0.000268 | 0.000000 |
3264.467600 | 0.003737 | -0.001539 | 0.000939 | 0.000228 | -0.000466 | 0.000615 | -0.000591 | -0.000451 | 0.000000 |
1588.430300 | 0.012225 | -0.005081 | 0.003099 | 0.000753 | -0.001531 | 0.001916 | -0.002234 | -0.003117 | 0.000000 |
816.604200 | 0.035641 | -0.014950 | 0.009110 | 0.002213 | -0.004525 | 0.005978 | -0.005762 | -0.004477 | 0.000000 |
438.171120 | 0.090143 | -0.038582 | 0.023503 | 0.005720 | -0.011619 | 0.014514 | -0.017004 | -0.023910 | 0.000000 |
243.286980 | 0.187850 | -0.081312 | 0.049471 | 0.012023 | -0.024629 | 0.032794 | -0.030931 | -0.021582 | 0.000000 |
138.213010 | 0.302328 | -0.128880 | 0.078574 | 0.019134 | -0.038851 | 0.047747 | -0.059889 | -0.094894 | 0.000000 |
79.994974 | 0.338945 | -0.120499 | 0.072945 | 0.017531 | -0.036316 | 0.052670 | -0.038654 | 0.013192 | 0.000000 |
46.662953 | 0.215355 | 0.043328 | -0.029790 | -0.008062 | 0.017934 | -0.035347 | 0.004103 | -0.108423 | 0.000000 |
27.188067 | 0.035676 | 0.306946 | -0.192298 | -0.049152 | 0.099456 | -0.114288 | 0.204609 | 0.471323 | 0.000000 |
15.925606 | -0.050171 | 0.436562 | -0.278548 | -0.070329 | 0.152118 | -0.243576 | 0.134221 | -0.267184 | 0.000000 |
9.331702 | -0.037441 | 0.275909 | -0.061679 | -0.009530 | 0.005085 | 0.069969 | 0.158996 | 0.973495 | 0.000000 |
5.404489 | -0.010123 | 0.072631 | 0.326803 | 0.104323 | -0.205628 | 0.224775 | -0.883957 | -2.984490 | 0.000000 |
3.059475 | -0.000433 | 0.004306 | 0.476035 | 0.149819 | -0.409295 | 1.017960 | -0.521308 | 2.941010 | 0.000000 |
1.676385 | 0.000158 | -0.000900 | 0.292077 | 0.055435 | -0.020981 | -1.374350 | 2.653350 | -0.180584 | 0.000000 |
0.873265 | 0.000083 | -0.000363 | 0.078006 | -0.149581 | 0.827420 | -0.445002 | -2.320570 | -2.179540 | 0.000000 |
0.409587 | -0.000005 | -0.000009 | 0.006705 | -0.347595 | 0.282706 | 1.218640 | 0.303494 | 2.688040 | 0.000000 |
0.182171 | 0.000004 | -0.000007 | 0.000373 | -0.402264 | -0.441781 | -0.064574 | 1.080400 | -1.884190 | 0.000000 |
0.078756 | -0.000002 | 0.000003 | 0.000015 | -0.283141 | -0.358859 | -0.493575 | -0.743284 | 0.404779 | 0.000000 |
0.032772 | 0.000000 | -0.000001 | 0.000010 | -0.082086 | -0.097675 | -0.114165 | -0.218248 | 0.472539 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)
|