sfBSE/output/H2/TDDFT/tddft_b3lyp_15th_excitation

72 lines
568 B
Plaintext
Raw Normal View History

2021-01-20 08:12:46 +01:00
29.1960
28.6899
28.1699
27.6499
27.1415
26.6513
26.1800
25.7257
25.2857
24.8585
24.4443
24.0440
23.6585
23.2886
22.9341
22.5946
22.2691
21.9567
21.6567
21.3683
21.0911
20.8251
20.5699
20.3254
20.0912
19.8669
19.6520
19.4460
19.2487
19.0594
18.8782
18.7046
18.5387
18.3803
18.2291
18.0850
17.9477
17.8170
17.6925
17.5739
17.4609
17.3532
17.2505
17.1528
17.0599
16.9716
16.8880
16.8090
16.7345
16.6646
16.5991
16.5381
16.4815
16.4290
16.3806
16.3360
16.2951
16.2577
16.2234
16.1922
16.1637
16.1379
16.0737
16.0736
16.0725
16.0567
16.0410
16.0270
16.0143
16.0029
15.9926