srDFT_SC/new/H10_vqz/data/exact-H10

11 lines
140 B
Plaintext
Raw Normal View History

2019-10-02 18:43:27 +02:00
#R MRCI+Q+F12 : De=.6654 H
1.4 -5.4917
1.6 -5.6321
1.8 -5.6654
2.0 -5.6410
2.4 -5.5187
2.8 -5.3753
3.2 -5.2500
3.6 -5.1553
100.0 -5.0000