./iterations/neb1_max2_image01_iter106_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 -19.764072867 1.000000
2 -16.577044050 1.000000
3 -16.372302702 1.000000
4 -16.350979724 1.000000
5 -13.003425189 1.000000
6 -11.752759982 1.000000
7 -11.647599879 1.000000
8 -11.583933480 1.000000
9 -11.578964230 1.000000
10 -11.008153074 1.000000
11 -7.273646186 1.000000
12 -7.171132191 1.000000
13 -6.606621536 1.000000
14 -6.563212741 1.000000
15 -6.431744894 1.000000
16 -6.345008536 1.000000
17 -5.984512048 1.000000
18 -5.684497245 1.000000
19 -5.566113129 1.000005
20 -5.390460677 1.000715
21 -5.315387037 1.003552
22 -5.231061464 1.014121
23 -5.167343700 1.028115
24 -5.075093624 1.027820
25 -5.048465905 1.010549
26 -5.012388080 0.964923
27 -4.988094359 0.916985
28 -4.973894393 0.882099
29 -4.935045562 0.761755
30 -4.915994149 0.691214
31 -4.896506147 0.613394
32 -4.887914241 0.577826
33 -4.858020085 0.451788
34 -4.848216489 0.410776
35 -4.828474297 0.330648
36 -4.810370316 0.261752
37 -4.772509988 0.138464
38 -4.751300776 0.084217
39 -4.652969285 -0.031696
40 -4.618252610 -0.035314
41 -4.538745135 -0.020617
42 -4.431113006 -0.004102
43 -4.332875419 -0.000492
44 -4.253912489 -0.000060
45 -4.181129287 -0.000006
46 -4.053294944 -0.000000
47 -3.930144442 -0.000000
0.0000000E+00 0.5000000E+00 0.0000000E+00 0.2500000E+00
1 -19.763952590 1.000000
2 -16.577017891 1.000000
3 -16.372284886 1.000000
4 -16.350964527 1.000000
5 -13.003378090 1.000000
6 -11.752751876 1.000000
7 -11.647668930 1.000000
8 -11.583983296 1.000000
9 -11.578821195 1.000000
10 -11.008151277 1.000000
11 -7.274514354 1.000000
12 -7.171315053 1.000000
13 -6.607729893 1.000000
14 -6.560532021 1.000000
15 -6.433686217 1.000000
16 -6.342762352 1.000000
17 -5.987811191 1.000000
18 -5.679085267 1.000000
19 -5.573799819 1.000004
20 -5.377182523 1.000972
21 -5.335617807 1.002383
22 -5.208982892 1.018646
23 -5.161084441 1.029467
24 -5.076612670 1.028462
25 -5.053749272 1.014958
26 -5.006567029 0.954768
27 -4.997669655 0.937636
28 -4.950967390 0.815261
29 -4.916689010 0.693895
30 -4.912179763 0.676370
31 -4.901384663 0.633298
32 -4.871939364 0.510598
33 -4.866356639 0.486978
34 -4.857277220 0.448663
35 -4.833564043 0.350893
36 -4.809971636 0.260297
37 -4.771448932 0.135484
38 -4.755197666 0.093336
39 -4.673799233 -0.022712
40 -4.631979057 -0.035230
41 -4.558251065 -0.025106
42 -4.426850820 -0.003787
43 -4.333316898 -0.000498
44 -4.251180702 -0.000056
45 -4.176651023 -0.000006
46 -4.055319438 -0.000000
47 -3.952833607 -0.000000
0.0000000E+00 0.0000000E+00 0.5000000E+00 0.2500000E+00
1 -19.763948633 1.000000
2 -16.577019064 1.000000
3 -16.372284305 1.000000
4 -16.350961673 1.000000
5 -13.003380412 1.000000
6 -11.752577134 1.000000
7 -11.647777397 1.000000
8 -11.584200560 1.000000
9 -11.578715603 1.000000
10 -11.008154080 1.000000
11 -7.273473471 1.000000
12 -7.171200027 1.000000
13 -6.605905891 1.000000
14 -6.563419058 1.000000
15 -6.431689984 1.000000
16 -6.344413515 1.000000
17 -5.984258930 1.000000
18 -5.685870236 1.000000
19 -5.566588580 1.000005
20 -5.391027925 1.000705
21 -5.316142416 1.003501
22 -5.210374997 1.018343
23 -5.139832327 1.033372
24 -5.110713150 1.035405
25 -5.073457724 1.027091
26 -5.027571326 0.987626
27 -4.982681156 0.904286
28 -4.948688819 0.807942
29 -4.939515021 0.777317
30 -4.930899646 0.746964
31 -4.905983830 0.651826
32 -4.882142550 0.553652
33 -4.854446557 0.436777
34 -4.836661927 0.363371
35 -4.829174116 0.333412
36 -4.789573698 0.190098
37 -4.768615936 0.127662
38 -4.754384581 0.091401
39 -4.650879831 -0.032269
40 -4.619365030 -0.035360
41 -4.544247558 -0.021871
42 -4.432674332 -0.004223
43 -4.335671022 -0.000527
44 -4.254449934 -0.000061
45 -4.182026245 -0.000007
46 -4.056613269 -0.000000
47 -3.955438481 -0.000000
0.0000000E+00 0.5000000E+00 0.5000000E+00 0.2500000E+00
1 -19.763854408 1.000000
2 -16.577000670 1.000000
3 -16.372269706 1.000000
4 -16.350950157 1.000000
5 -13.003344934 1.000000
6 -11.752570221 1.000000
7 -11.647849840 1.000000
8 -11.584103721 1.000000
9 -11.578716112 1.000000
10 -11.008150669 1.000000
11 -7.274312219 1.000000
12 -7.171357317 1.000000
13 -6.606998120 1.000000
14 -6.560773897 1.000000
15 -6.433633191 1.000000
16 -6.342313946 1.000000
17 -5.987624235 1.000000
18 -5.680181464 1.000000
19 -5.574282890 1.000004
20 -5.375227639 1.001016
21 -5.335663157 1.002381
22 -5.172552946 1.026951
23 -5.158290160 1.030048
24 -5.115419360 1.035454
25 -5.074611694 1.027609
26 -5.028909269 0.989373
27 -4.960975958 0.845992
28 -4.953154439 0.822176
29 -4.921038397 0.710503
30 -4.916095094 0.691604
31 -4.901001883 0.631745
32 -4.878359859 0.537725
33 -4.860321170 0.461482
34 -4.850407695 0.419893
35 -4.827550431 0.327010
36 -4.804110993 0.239260
37 -4.763795669 0.114812
38 -4.755723974 0.094597
39 -4.672142819 -0.023664
40 -4.632535674 -0.035194
41 -4.562970349 -0.026190
42 -4.427425582 -0.003828
43 -4.336254939 -0.000535
44 -4.251435842 -0.000056
45 -4.177425956 -0.000006
46 -4.059946772 -0.000000
47 -3.939228683 -0.000000