./iterations/neb1_max2_image01_iter136_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 -19.760175101 1.000000
2 -16.579435060 1.000000
3 -16.371709846 1.000000
4 -16.349930791 1.000000
5 -13.000720185 1.000000
6 -11.751452422 1.000000
7 -11.646871960 1.000000
8 -11.582372311 1.000000
9 -11.570880567 1.000000
10 -11.004660523 1.000000
11 -7.276529964 1.000000
12 -7.174901348 1.000000
13 -6.589055952 1.000000
14 -6.560229424 1.000000
15 -6.430259579 1.000000
16 -6.345339099 1.000000
17 -5.982862457 1.000000
18 -5.687753593 1.000000
19 -5.569441600 1.000004
20 -5.395367293 1.000627
21 -5.319960144 1.003216
22 -5.229369940 1.014331
23 -5.164591417 1.028589
24 -5.073236535 1.027258
25 -5.047650465 1.010349
26 -5.009693629 0.961345
27 -4.987442559 0.916842
28 -4.972332950 0.879524
29 -4.934449397 0.761730
30 -4.916566663 0.695692
31 -4.895740388 0.612669
32 -4.887860593 0.580058
33 -4.857548685 0.452283
34 -4.847394729 0.409810
35 -4.828746231 0.334049
36 -4.809236237 0.259764
37 -4.772175161 0.139183
38 -4.750707546 0.084207
39 -4.652583069 -0.031638
40 -4.618070247 -0.035332
41 -4.541401060 -0.021354
42 -4.432408370 -0.004249
43 -4.331582546 -0.000484
44 -4.252288634 -0.000058
45 -4.181216998 -0.000007
46 -4.058975386 -0.000000
47 -3.930443230 -0.000000
0.0000000E+00 0.5000000E+00 0.0000000E+00 0.2500000E+00
1 -19.760055423 1.000000
2 -16.579408960 1.000000
3 -16.371692089 1.000000
4 -16.349915455 1.000000
5 -13.000673237 1.000000
6 -11.751443559 1.000000
7 -11.646930257 1.000000
8 -11.582422962 1.000000
9 -11.570748391 1.000000
10 -11.004659111 1.000000
11 -7.277399543 1.000000
12 -7.175083945 1.000000
13 -6.591061137 1.000000
14 -6.556617325 1.000000
15 -6.432213952 1.000000
16 -6.343091169 1.000000
17 -5.986153131 1.000000
18 -5.682309661 1.000000
19 -5.576638350 1.000003
20 -5.382631597 1.000846
21 -5.339753903 1.002163
22 -5.207145079 1.018919
23 -5.160173327 1.029534
24 -5.074878077 1.027981
25 -5.050902586 1.013138
26 -5.004244579 0.951584
27 -4.995935344 0.935288
28 -4.951240351 0.818000
29 -4.916356031 0.694881
30 -4.912175552 0.678660
31 -4.901294030 0.635318
32 -4.871188319 0.509913
33 -4.865926124 0.487648
34 -4.857197669 0.450806
35 -4.832488766 0.348945
36 -4.809142298 0.259422
37 -4.771121958 0.136218
38 -4.754391316 0.092817
39 -4.673881324 -0.022313
40 -4.631508138 -0.035223
41 -4.560880298 -0.025846
42 -4.428406544 -0.003943
43 -4.331952198 -0.000488
44 -4.249542156 -0.000054
45 -4.176621960 -0.000006
46 -4.061091714 -0.000000
47 -3.954250739 -0.000000
0.0000000E+00 0.0000000E+00 0.5000000E+00 0.2500000E+00
1 -19.760051050 1.000000
2 -16.579410026 1.000000
3 -16.371691484 1.000000
4 -16.349912728 1.000000
5 -13.000675486 1.000000
6 -11.751271249 1.000000
7 -11.647046669 1.000000
8 -11.582494886 1.000000
9 -11.570778111 1.000000
10 -11.004660481 1.000000
11 -7.276354525 1.000000
12 -7.174967335 1.000000
13 -6.588027923 1.000000
14 -6.560762482 1.000000
15 -6.430206768 1.000000
16 -6.344754897 1.000000
17 -5.982615900 1.000000
18 -5.689061389 1.000000
19 -5.569920938 1.000004
20 -5.395926773 1.000619
21 -5.320677250 1.003171
22 -5.208920441 1.018531
23 -5.137060739 1.033687
24 -5.107896266 1.035318
25 -5.071655827 1.026525
26 -5.026387500 0.986836
27 -4.982039705 0.904159
28 -4.948239296 0.808394
29 -4.939235769 0.778381
30 -4.930740848 0.748514
31 -4.905743707 0.653221
32 -4.880824994 0.550589
33 -4.853645960 0.435890
34 -4.836523412 0.365195
35 -4.828794515 0.334240
36 -4.788866651 0.189718
37 -4.768058221 0.127748
38 -4.754132526 0.092201
39 -4.650519830 -0.032209
40 -4.619219471 -0.035376
41 -4.547007818 -0.022641
42 -4.434030175 -0.004378
43 -4.334377845 -0.000518
44 -4.252802935 -0.000059
45 -4.182102120 -0.000007
46 -4.062214434 -0.000000
47 -3.955949352 -0.000000
0.0000000E+00 0.5000000E+00 0.5000000E+00 0.2500000E+00
1 -19.759957531 1.000000
2 -16.579391801 1.000000
3 -16.371676897 1.000000
4 -16.349901085 1.000000
5 -13.000640129 1.000000
6 -11.751263593 1.000000
7 -11.647108148 1.000000
8 -11.582479404 1.000000
9 -11.570709342 1.000000
10 -11.004657399 1.000000
11 -7.277197302 1.000000
12 -7.175125505 1.000000
13 -6.590071871 1.000000
14 -6.557141441 1.000000
15 -6.432164135 1.000000
16 -6.342647401 1.000000
17 -5.985967000 1.000000
18 -5.683348519 1.000000
19 -5.577122375 1.000003
20 -5.380889837 1.000881
21 -5.339851680 1.002159
22 -5.170164878 1.027356
23 -5.157406137 1.030108
24 -5.112704306 1.035453
25 -5.073141126 1.027215
26 -5.026522428 0.987016
27 -4.960544265 0.846457
28 -4.952745339 0.822740
29 -4.920405929 0.710339
30 -4.915830118 0.692855
31 -4.900614705 0.632564
32 -4.877739129 0.537591
33 -4.860158029 0.463278
34 -4.849845557 0.420005
35 -4.826600421 0.325592
36 -4.803275300 0.238389
37 -4.763524504 0.115641
38 -4.754865590 0.093951
39 -4.672279050 -0.023253
40 -4.632104217 -0.035184
41 -4.565756082 -0.026958
42 -4.429041110 -0.003990
43 -4.334900239 -0.000525
44 -4.249770221 -0.000054
45 -4.177399611 -0.000006
46 -4.065599123 -0.000000
47 -3.940966853 -0.000000