./iterations/neb1_max2_image01_iter88_EIGENVAL output for 41: 3.3A-->1.3A (Job 121) O-H...N hydrogen bond by TSA-OH, TSA-NH2 (TSS)
Status:
finished
29 29 1 1
0.7448276E+02 0.1500000E-08 0.1200000E-08 0.1200000E-08 0.5000000E-15
1.000000000000000E-004
CAR
No title
64 4 47
0.0000000E+00 0.0000000E+00 0.0000000E+00 0.2500000E+00
1 -19.754863958 1.000000
2 -16.583044517 1.000000
3 -16.370886084 1.000000
4 -16.348932717 1.000000
5 -12.996947525 1.000000
6 -11.749797564 1.000000
7 -11.646070171 1.000000
8 -11.581726113 1.000000
9 -11.558930851 1.000000
10 -10.999132373 1.000000
11 -7.280601614 1.000000
12 -7.180625105 1.000000
13 -6.578303479 1.000000
14 -6.543473349 1.000000
15 -6.428024103 1.000000
16 -6.345673769 1.000000
17 -5.980991063 1.000000
18 -5.692403293 1.000000
19 -5.574106659 1.000004
20 -5.402442816 1.000518
21 -5.326565964 1.002778
22 -5.226913909 1.014641
23 -5.160650672 1.029254
24 -5.070785144 1.026513
25 -5.046542284 1.010115
26 -5.006098328 0.956512
27 -4.986508879 0.916644
28 -4.970019537 0.875597
29 -4.933471723 0.761268
30 -4.917217635 0.701433
31 -4.894581026 0.611385
32 -4.887650843 0.582712
33 -4.857151403 0.454175
34 -4.846228547 0.408484
35 -4.828961285 0.338257
36 -4.807686709 0.257208
37 -4.771817631 0.140569
38 -4.749885398 0.084263
39 -4.652147675 -0.031517
40 -4.617846163 -0.035357
41 -4.545085371 -0.022393
42 -4.434141133 -0.004455
43 -4.329824518 -0.000473
44 -4.250065019 -0.000056
45 -4.181533141 -0.000007
46 -4.067130839 -0.000000
47 -3.942293363 -0.000000
0.0000000E+00 0.5000000E+00 0.0000000E+00 0.2500000E+00
1 -19.754744261 1.000000
2 -16.583018493 1.000000
3 -16.370868431 1.000000
4 -16.348917189 1.000000
5 -12.996900799 1.000000
6 -11.749787803 1.000000
7 -11.646117283 1.000000
8 -11.581765613 1.000000
9 -11.558822217 1.000000
10 -10.999131509 1.000000
11 -7.281471670 1.000000
12 -7.180809959 1.000000
13 -6.579946796 1.000000
14 -6.540169305 1.000000
15 -6.429997394 1.000000
16 -6.343430766 1.000000
17 -5.984265212 1.000000
18 -5.686918245 1.000000
19 -5.580631850 1.000003
20 -5.390513878 1.000690
21 -5.345746079 1.001876
22 -5.204427355 1.019332
23 -5.158783044 1.029648
24 -5.072612580 1.027359
25 -5.046926529 1.010458
26 -5.000948207 0.946958
27 -4.993472782 0.931918
28 -4.951623948 0.821878
29 -4.915962952 0.696626
30 -4.911862412 0.680744
31 -4.901098737 0.637953
32 -4.870106295 0.508917
33 -4.865471436 0.489307
34 -4.856937126 0.453273
35 -4.831045683 0.346559
36 -4.808001322 0.258351
37 -4.770785548 0.137651
38 -4.753290851 0.092213
39 -4.673993822 -0.021730
40 -4.630916251 -0.035206
41 -4.564607632 -0.026889
42 -4.430476661 -0.004164
43 -4.330098331 -0.000476
44 -4.247284155 -0.000052
45 -4.176746852 -0.000006
46 -4.069404250 -0.000000
47 -3.957486994 -0.000000
0.0000000E+00 0.0000000E+00 0.5000000E+00 0.2500000E+00
1 -19.754740146 1.000000
2 -16.583019419 1.000000
3 -16.370867767 1.000000
4 -16.348914637 1.000000
5 -12.996902934 1.000000
6 -11.749618646 1.000000
7 -11.646241522 1.000000
8 -11.581791499 1.000000
9 -11.558887441 1.000000
10 -10.999130862 1.000000
11 -7.280422710 1.000000
12 -7.180688868 1.000000
13 -6.577348962 1.000000
14 -6.543950862 1.000000
15 -6.427974440 1.000000
16 -6.345110024 1.000000
17 -5.980754074 1.000000
18 -5.693613151 1.000000
19 -5.574593528 1.000003
20 -5.402997323 1.000511
21 -5.327226498 1.002742
22 -5.206775211 1.018815
23 -5.133174923 1.034089
24 -5.104029197 1.035132
25 -5.069193218 1.025736
26 -5.024733477 0.985752
27 -4.981075517 0.903875
28 -4.947700091 0.809387
29 -4.938629105 0.779204
30 -4.930342340 0.750125
31 -4.905269227 0.654708
32 -4.879131041 0.547024
33 -4.852524341 0.434738
34 -4.836504966 0.368553
35 -4.828037084 0.334593
36 -4.787886892 0.189289
37 -4.767430305 0.128345
38 -4.753770782 0.093357
39 -4.650120678 -0.032090
40 -4.619048870 -0.035398
41 -4.550829694 -0.023721
42 -4.435847551 -0.004597
43 -4.332623664 -0.000507
44 -4.250533818 -0.000057
45 -4.182408399 -0.000007
46 -4.070228915 -0.000000
47 -3.957907089 -0.000000
0.0000000E+00 0.5000000E+00 0.5000000E+00 0.2500000E+00
1 -19.754646589 1.000000
2 -16.583001424 1.000000
3 -16.370853254 1.000000
4 -16.348902819 1.000000
5 -12.996867755 1.000000
6 -11.749610101 1.000000
7 -11.646291586 1.000000
8 -11.581797416 1.000000
9 -11.558810104 1.000000
10 -10.999128253 1.000000
11 -7.281269660 1.000000
12 -7.180850778 1.000000
13 -6.578982769 1.000000
14 -6.540700779 1.000000
15 -6.429952415 1.000000
16 -6.342997374 1.000000
17 -5.984080194 1.000000
18 -5.687870377 1.000000
19 -5.581115081 1.000003
20 -5.389043236 1.000714
21 -5.345886867 1.001871
22 -5.166816653 1.027914
23 -5.156029101 1.030217
24 -5.108957584 1.035395
25 -5.071198026 1.026709
26 -5.023001234 0.983376
27 -4.960335250 0.848332
28 -4.951757707 0.822298
29 -4.919479425 0.710037
30 -4.915273081 0.693972
31 -4.900014301 0.633563
32 -4.877072363 0.538350
33 -4.859856234 0.465577
34 -4.848965400 0.419865
35 -4.825306264 0.323837
36 -4.802145324 0.237390
37 -4.763277647 0.117214
38 -4.753677983 0.093135
39 -4.672465150 -0.022652
40 -4.631577084 -0.035161
41 -4.569697075 -0.028028
42 -4.431198043 -0.004220
43 -4.333062804 -0.000512
44 -4.247461875 -0.000052
45 -4.177535978 -0.000006
46 -4.073719033 -0.000000
47 -3.945995815 -0.000000