sfBSE/output/H2/TDDFT/tddft_cam_b3lyp_sixth_excitation

72 lines
568 B
Plaintext

19.0077
18.5184
18.0652
17.6463
17.2599
16.9039
16.5764
16.2753
15.9987
15.7444
15.5111
15.2973
15.1020
14.9243
14.7634
14.6185
14.4889
14.3734
14.2711
14.1811
14.1025
14.0346
13.9769
13.9286
13.8892
13.8582
13.8350
13.8190
13.8099
13.8070
13.7101
13.6095
13.5168
13.4315
13.3529
13.2806
13.2143
13.1535
13.0980
13.0255
12.9169
12.8272
12.7572
12.7071
12.6769
12.6661
12.6739
12.6994
12.7410
12.7376
12.7199
12.7039
12.6896
12.6773
12.6667
12.6581
12.6516
12.6472
12.6449
12.6450
12.6475
12.6524
12.6595
12.6688
12.6802
12.6934
12.7081
12.7242
12.7412
12.7588
12.7767