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H2 CIS results

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This commit is contained in:
EnzoMonino 2021-01-19 14:32:36 +01:00
parent 5ffb54703c
commit 5f2b87cd35
20 changed files with 710 additions and 710 deletions
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71
output/H2/CIS/cis_eighth_excitation
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22.0825
21.5534
21.0615
20.6046
20.1804
19.7866
19.4210
19.0814
18.7657
18.4716
18.1977
17.9425
17.7052
17.4851
17.2058
16.8245
16.4685
16.1365
15.8272
15.5395
15.2719
15.0233
14.7924
14.5779
14.3787
14.1938
14.0219
13.8622
13.7137
13.5756
13.4471
13.3274
13.2160
13.1123
13.0259
13.0595
13.0965
11.2332
13.1780
13.2214
13.2658
13.3107
13.3555
13.3999
13.4435
13.4858
12.3457
13.5656
13.6025
12.6280
13.6693
13.6989
13.7259
13.7502
13.7720
13.0552
13.8076
13.8218
13.8336
13.8433
13.8509
13.8567
13.8608
13.8634
13.8646
13.4379
13.4604
13.8614
13.8586
13.8552
13.8512

71
output/H2/CIS/cis_fifth_excitation
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18.8760
18.2981
17.7652
17.2747
16.8237
16.4097
16.0301
15.6824
15.3640
15.0726
14.8062
14.5631
14.3418
14.1413
13.9603
13.7978
13.6529
13.5244
13.4112
13.2244
13.0120
12.9058
12.8181
12.7358
12.6587
12.5869
12.5204
12.4592
12.4032
12.3519
12.3047
12.2605
12.2184
12.1773
12.1366
12.0958
12.0551
9.7994
11.9741
11.9341
11.8944
11.8546
11.7908
11.7342
11.7024
11.6804
10.6157
11.5744
11.5154
10.9672
11.3874
11.3198
11.2509
11.1817
11.1129
11.0617
10.9795
10.9159
10.8549
10.7968
10.7418
10.6901
10.6416
10.5965
10.5547
10.9182
10.9027
10.4493
10.4206
10.3950
10.3724

71
output/H2/CIS/cis_first_excitation
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13.9146
13.0802
12.2575
11.4479
10.6534
9.8763
9.1194
8.3850
7.6757
6.9934
6.3395
5.7150
5.1203
4.5553
4.0197
3.5126
3.0331
2.5802
2.1527
1.7493
1.3687
1.0096
0.6709
0.3512
0.0495
-0.2355
-0.5047
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-0.9997
-1.2274
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-1.8409
-2.0247
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-2.3649
-2.5225
-6.8546
-2.8152
-2.9512
-3.0808
-3.2046
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-6.1579
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-4.9857
-5.9190
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-5.1237
-5.1666
-5.2081
-5.2482

71
output/H2/CIS/cis_fourth_excitation
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17.3979
16.9717
16.5795
16.2202
15.8914
15.5897
15.3114
15.0539
14.8152
14.5940
14.3894
14.2000
14.0247
13.8623
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13.5714
13.4408
13.3190
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12.9992
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12.4554
12.2934
12.1419
11.9999
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11.2230
11.1371
11.0564
10.9805
8.4605
10.8425
10.7799
10.7213
10.6663
10.6148
10.5665
10.5209
10.4779
8.7897
10.3985
10.3616
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10.2928
10.2608
10.2303
10.2015
10.1743
9.0167
10.1251
10.1032
10.0830
10.0647
10.0482
10.0334
10.0203
10.0085
9.9980
9.2190
9.2372
9.9712
9.9630
9.9545
9.9455

71
output/H2/CIS/cis_ninth_excitation
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22.4936
21.7023
21.0615
20.6046
20.1804
19.7866
19.4210
19.0814
18.7657
18.4716
18.1977
17.9425
17.7052
17.4851
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17.0938
16.9213
16.7629
16.6178
16.4850
16.3639
16.2538
16.1542
16.0646
15.9847
15.8716
15.4944
15.1305
14.7816
14.4491
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13.8377
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13.2996
13.0570
13.0595
13.0965
11.2332
13.1780
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13.2658
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13.3555
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13.4858
12.3457
13.5656
13.6025
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13.6989
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13.7502
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13.8634
13.8646
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13.4604
13.8614
13.8586
13.8552
13.8512

71
output/H2/CIS/cis_second_excitation
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15.0412
14.6088
14.2111
13.8461
13.5116
13.2050
12.8004
12.3616
11.9432
11.5440
11.1632
10.8000
10.4537
10.1237
9.8096
9.5107
9.2267
8.9572
8.7017
8.4599
8.2314
8.0157
7.8124
7.6210
7.4410
7.2719
7.1133
6.9646
6.8254
6.6953
6.5737
6.4602
6.3544
6.2558
6.1642
6.0790
5.9999
1.3319
5.8585
5.7955
5.7372
5.6834
5.6338
5.5880
5.5458
5.5070
2.4419
5.4386
5.4087
2.7274
5.3562
5.3333
5.3125
5.2936
5.2765
3.2122
5.2469
5.2343
5.2230
5.2129
5.2039
5.1960
5.1889
5.1828
5.1774
3.8359
3.8885
5.1655
5.1627
5.1604
5.1587

71
output/H2/CIS/cis_seventh_excitation
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22.0825
21.5534
20.9060
20.1213
19.3787
18.6933
18.0637
17.4851
16.9528
16.4633
16.0133
15.5997
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14.8671
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13.9578
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13.2264
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13.0406
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12.9260
12.8426
10.7183
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13.2730
13.3410
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13.5013
13.5416
13.5761
13.6053

71
output/H2/CIS/cis_sixth_excitation
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18.8760
18.2981
17.7652
17.2747
16.8237
16.4097
16.0301
15.6824
15.3640
15.0726
14.8062
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13.9603
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13.0158
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12.0413
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12.0664
12.0442
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11.9779
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11.9536
11.9502
11.9490
11.9498
11.2448
11.2653
11.9614
11.9672
11.9733
11.9795

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output/H2/CIS/cis_tenth_excitation
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25.5958
24.9496
24.2420
23.4904
22.7445
22.0340
21.3616
20.7246
20.1215
19.5525
19.0181
18.5179
18.0505
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17.2815
17.0938
16.9213
16.7629
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16.4850
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15.7972
15.7504
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15.6311
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15.6077
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15.5985
12.9039
15.2221
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14.8896
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14.5047
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14.3456
12.6770
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14.2052
14.1717
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14.0184
13.9991
13.9813

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output/H2/CIS/cis_third_excitation
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15.9417
15.3528
14.7911
14.2552
13.7455
13.2611
12.9235
12.6649
12.4271
12.2087
12.0083
11.8245
11.6561
11.5017
11.3603
11.2306
11.1117
11.0027
10.9028
10.8112
10.7273
10.6504
10.5799
10.5154
10.4563
10.4026
10.3540
10.3104
10.2714
10.2366
10.2053
10.1764
10.1489
10.1213
10.0926
10.0618
10.0281
8.0267
9.9492
9.9024
9.8497
9.7904
9.7241
9.6510
9.5717
9.4873
8.0677
9.3092
9.2185
8.0017
9.0405
8.9551
8.8731
8.7950
8.7211
7.8879
8.5865
8.5260
8.4700
8.4184
8.3712
8.3282
8.2893
8.2543
8.2231
7.8634
7.8720
8.1507
8.1331
8.1185
8.1067

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output/H2/CIS/h2_cis_eighth_excitation Normal file
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22.082550
21.553374
21.061545
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20.180399
19.786589
19.421018
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18.765657
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16.236697
16.239775
16.242639
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16.252558
16.260478
16.268660

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output/H2/CIS/h2_cis_fifth_excitation Normal file
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18.875983
18.298126
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17.274667
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16.409731
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output/H2/CIS/h2_cis_first_excitation Normal file
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13.914561
13.080198
12.257542
11.447912
10.653380
9.876345
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10.990855
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output/H2/CIS/h2_cis_fourth_excitation Normal file
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17.397921
16.971703
16.579463
16.220222
15.891444
15.589669
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output/H2/CIS/h2_cis_ninth_excitation Normal file
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22.493562
21.702254
21.061545
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19.421018
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16.367199
16.365049

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output/H2/CIS/h2_cis_second_excitation Normal file
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15.041180
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13.846077
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13.204998
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11.042898

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output/H2/CIS/h2_cis_seventh_excitation Normal file
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22.082550
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