MOLPRO Basis Query, element=I, basis=AVQZ-PP_old, l=s
Basis I s AVQZ-PP_old
Primitives | Contractions... |
16788.400000 | 0.000041 | 0.000020 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
2526.640000 | 0.000303 | 0.000145 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
571.984000 | 0.001247 | 0.000604 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
150.434000 | 0.002659 | 0.001265 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
29.540500 | -0.053190 | -0.022399 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
18.457100 | 0.340096 | 0.155006 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
11.528600 | -0.352355 | -0.191620 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
7.082890 | -0.541385 | -0.216083 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
2.504050 | 0.715749 | 0.413694 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.347400 | 0.615929 | 0.528105 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.616102 | 0.089155 | 0.089034 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.384682 | -0.011859 | -0.583263 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
0.181039 | 0.002790 | -0.620049 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
0.082777 | -0.000269 | -0.153652 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.033200 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: aug-cc-pVQZ (15s12p13d3f2g)/[7s7p5d3f2g] basis set for ECP28oldMDF by K.A. Peterson et al, Ref 36.