./iterations/neb1_max2_image01_iter125_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 -19.744710529 1.000000
2 -16.589314298 1.000000
3 -16.370513367 1.000000
4 -16.347225929 1.000000
5 -12.990441529 1.000000
6 -11.746419977 1.000000
7 -11.643829043 1.000000
8 -11.580040794 1.000000
9 -11.537808623 1.000000
10 -10.988494620 1.000000
11 -7.288537448 1.000000
12 -7.193138347 1.000000
13 -6.579338998 1.000000
14 -6.493829523 1.000000
15 -6.423261866 1.000000
16 -6.346190855 1.000000
17 -5.978714566 1.000000
18 -5.701161853 1.000000
19 -5.582501180 1.000003
20 -5.416365993 1.000351
21 -5.339393237 1.002064
22 -5.221957924 1.015262
23 -5.152859400 1.030495
24 -5.066497991 1.025276
25 -5.044383995 1.009784
26 -4.999797606 0.948179
27 -4.984472197 0.916078
28 -4.965174743 0.867243
29 -4.931050326 0.759032
30 -4.918040516 0.711361
31 -4.892145443 0.608727
32 -4.887050683 0.587658
33 -4.856639949 0.459558
34 -4.844130689 0.407204
35 -4.828940036 0.345295
36 -4.804506106 0.252177
37 -4.770976193 0.143272
38 -4.747966125 0.083965
39 -4.651456593 -0.031186
40 -4.617355665 -0.035401
41 -4.551335940 -0.024252
42 -4.436599761 -0.004814
43 -4.325851250 -0.000449
44 -4.244943779 -0.000051
45 -4.182147003 -0.000007
46 -4.082380216 -0.000000
47 -3.957475760 -0.000000
0.0000000E+00 0.5000000E+00 0.0000000E+00 0.2500000E+00
1 -19.744589589 1.000000
2 -16.589288390 1.000000
3 -16.370495937 1.000000
4 -16.347210056 1.000000
5 -12.990395256 1.000000
6 -11.746408886 1.000000
7 -11.643862236 1.000000
8 -11.580075558 1.000000
9 -11.537720752 1.000000
10 -10.988494850 1.000000
11 -7.289402679 1.000000
12 -7.193337596 1.000000
13 -6.579548720 1.000000
14 -6.491803064 1.000000
15 -6.425265087 1.000000
16 -6.344024780 1.000000
17 -5.981939319 1.000000
18 -5.695624205 1.000000
19 -5.587822048 1.000002
20 -5.406028293 1.000455
21 -5.357399182 1.001407
22 -5.198818557 1.020184
23 -5.155761253 1.029905
24 -5.068691020 1.026367
25 -5.039368577 1.005018
26 -4.994505925 0.937761
27 -4.988546500 0.925189
28 -4.952480843 0.830103
29 -4.915707279 0.702499
30 -4.909912652 0.680117
31 -4.900419363 0.642432
32 -4.868276885 0.508747
33 -4.864509652 0.492807
34 -4.856269505 0.457997
35 -4.828116994 0.342014
36 -4.805577393 0.256048
37 -4.770044471 0.140615
38 -4.750886542 0.090755
39 -4.674146053 -0.020504
40 -4.629766258 -0.035163
41 -4.571250508 -0.028760
42 -4.433468726 -0.004548
43 -4.325954142 -0.000450
44 -4.242062311 -0.000047
45 -4.176908100 -0.000006
46 -4.085021607 -0.000000
47 -3.967090359 -0.000000
0.0000000E+00 0.0000000E+00 0.5000000E+00 0.2500000E+00
1 -19.744587122 1.000000
2 -16.589289071 1.000000
3 -16.370495134 1.000000
4 -16.347207817 1.000000
5 -12.990397165 1.000000
6 -11.746245726 1.000000
7 -11.643994318 1.000000
8 -11.580080655 1.000000
9 -11.537793782 1.000000
10 -10.988490221 1.000000
11 -7.288352810 1.000000
12 -7.193199770 1.000000
13 -6.578786754 1.000000
14 -6.493928730 1.000000
15 -6.423220351 1.000000
16 -6.345686329 1.000000
17 -5.978494449 1.000000
18 -5.702165813 1.000000
19 -5.583020782 1.000002
20 -5.416924167 1.000346
21 -5.339948243 1.002040
22 -5.202341441 1.019398
23 -5.125843649 1.034707
24 -5.096692091 1.034570
25 -5.064564589 1.024253
26 -5.021406761 0.983646
27 -4.979046321 0.903294
28 -4.946995379 0.812874
29 -4.936856952 0.779262
30 -4.928765949 0.750889
31 -4.904052293 0.656991
32 -4.876062811 0.541637
33 -4.850564353 0.434023
34 -4.836535667 0.375959
35 -4.826376142 0.335101
36 -4.785744676 0.188155
37 -4.766271259 0.130072
38 -4.752564632 0.094754
39 -4.649492668 -0.031768
40 -4.618669150 -0.035432
41 -4.557326129 -0.025635
42 -4.438470966 -0.004979
43 -4.328667230 -0.000481
44 -4.245274154 -0.000051
45 -4.183031866 -0.000008
46 -4.085155695 -0.000000
47 -3.966020438 -0.000000
0.0000000E+00 0.5000000E+00 0.5000000E+00 0.2500000E+00
1 -19.744492084 1.000000
2 -16.589271500 1.000000
3 -16.370480769 1.000000
4 -16.347195680 1.000000
5 -12.990362316 1.000000
6 -11.746235831 1.000000
7 -11.644030183 1.000000
8 -11.580097296 1.000000
9 -11.537722240 1.000000
10 -10.988488565 1.000000
11 -7.289202238 1.000000
12 -7.193379016 1.000000
13 -6.578953290 1.000000
14 -6.492016015 1.000000
15 -6.425232838 1.000000
16 -6.343623189 1.000000
17 -5.981756215 1.000000
18 -5.696391004 1.000000
19 -5.588299020 1.000002
20 -5.404987820 1.000466
21 -5.357564149 1.001402
22 -5.160523873 1.028899
23 -5.152889888 1.030489
24 -5.101781567 1.035097
25 -5.067717014 1.025892
26 -5.015867087 0.975610
27 -4.961060163 0.855630
28 -4.948751195 0.818464
29 -4.917624854 0.709789
30 -4.913440972 0.693806
31 -4.898589373 0.635039
32 -4.875844550 0.540717
33 -4.859291868 0.470748
34 -4.847308616 0.420417
35 -4.822869398 0.321301
36 -4.799584105 0.234677
37 -4.762720970 0.120473
38 -4.751104016 0.091270
39 -4.672749789 -0.021392
40 -4.630572762 -0.035102
41 -4.576735147 -0.029921
42 -4.434369262 -0.004623
43 -4.328953078 -0.000484
44 -4.242092841 -0.000047
45 -4.177763591 -0.000006
46 -4.088932443 -0.000000
47 -3.958013917 -0.000000