srDFT_SC/new/H10_vqz/data/data_mrci+q
2019-10-02 18:43:27 +02:00

13 lines
512 B
Plaintext

#R DZ TZ QZ MRCI+Q+F12 : De=.6654 H
1.0 -4.21954 -- -- -4.4301
1.2 -5.02812 -5.13118 -- -5.1506
1.4 -5.40966 -5.47756 -5.48548 -5.4917
1.6 -5.57110 -5.61985 -5.62710 -5.6321
1.8 -5.61486 -5.65330 -5.66068 -5.6654
2.0 -5.59552 -5.62892 -5.63645 -5.6410
2.4 -5.47661 -5.50663 -5.51426 -5.5187
2.8 -5.33470 -5.36307 -5.37099 -5.3753
3.2 -5.21270 -5.23817 -5.24586 -5.2500
3.6 -5.12397 -5.14463 -5.15150 -5.1553