srDFT_SC/new/O2_avtz/data/data_DFT_avtz
2020-01-20 18:37:01 +01:00

11 lines
594 B
Plaintext

# FCI PBE PBEot
1.95 -150.06963414 -0.0514036781 -0.0580919429 -0.0581323214
2.10 -150.12303107 -0.0498191601 -0.0566199123 -0.0566634475
2.2816 -150.14208721 -0.0483549667 -0.0552424714 -0.0552906635
2.40 -150.13989970 -0.0476012736 -0.0545246645 -0.0545764508
2.60 -150.12002711 -0.0465873654 -0.0535431346 -0.0536019959
3.00 -150.06398251 -0.0451765580 -0.0521176567 -0.0521957399
4.00 -149.96272858 -0.0430127968 -0.0494891491 -0.0496811854
5.00 -149.95830463 -0.0427189078 -0.0490633428 -0.0492751134
10.00 -149.9586663 -0.0424615784 -0.0485044322 -0.0487887242