./iterations/neb1_max2_image01_iter140_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 -19.756187924 1.000000
2 -16.581900487 1.000000
3 -16.371011179 1.000000
4 -16.348896777 1.000000
5 -12.998051469 1.000000
6 -11.750245208 1.000000
7 -11.646257871 1.000000
8 -11.581755334 1.000000
9 -11.562017717 1.000000
10 -11.000991301 1.000000
11 -7.279513989 1.000000
12 -7.179067017 1.000000
13 -6.579531142 1.000000
14 -6.549335913 1.000000
15 -6.428581231 1.000000
16 -6.345561741 1.000000
17 -5.981408625 1.000000
18 -5.691157081 1.000000
19 -5.572806588 1.000004
20 -5.400552622 1.000545
21 -5.324779201 1.002886
22 -5.227547752 1.014547
23 -5.161669873 1.029068
24 -5.071332785 1.026703
25 -5.046766712 1.010185
26 -5.006984563 0.957832
27 -4.986683965 0.916710
28 -4.970605325 0.876779
29 -4.933676597 0.761475
30 -4.917019648 0.700117
31 -4.894810064 0.611725
32 -4.887657707 0.582132
33 -4.857049789 0.453132
34 -4.846416446 0.408657
35 -4.828798018 0.337029
36 -4.808044458 0.257977
37 -4.771897172 0.140380
38 -4.750069638 0.084350
39 -4.652173305 -0.031553
40 -4.617830580 -0.035351
41 -4.544059375 -0.022124
42 -4.433628857 -0.004402
43 -4.330282384 -0.000477
44 -4.250637445 -0.000057
45 -4.181335658 -0.000007
46 -4.064929261 -0.000000
47 -3.941102279 -0.000000
0.0000000E+00 0.5000000E+00 0.0000000E+00 0.2500000E+00
1 -19.756068341 1.000000
2 -16.581874445 1.000000
3 -16.370993499 1.000000
4 -16.348881302 1.000000
5 -12.998004679 1.000000
6 -11.750235672 1.000000
7 -11.646307627 1.000000
8 -11.581796788 1.000000
9 -11.561904176 1.000000
10 -11.000990294 1.000000
11 -7.280383920 1.000000
12 -7.179251038 1.000000
13 -6.581482584 1.000000
14 -6.545739238 1.000000
15 -6.430549646 1.000000
16 -6.343316211 1.000000
17 -5.984687529 1.000000
18 -5.685681153 1.000000
19 -5.579510634 1.000003
20 -5.388399466 1.000728
21 -5.344123224 1.001947
22 -5.205167190 1.019201
23 -5.159104426 1.029612
24 -5.073107682 1.027514
25 -5.047913762 1.011196
26 -5.001801752 0.948309
27 -4.994060939 0.932846
28 -4.951460727 0.820906
29 -4.915989841 0.696167
30 -4.911908187 0.680352
31 -4.901058925 0.637201
32 -4.870337963 0.509279
33 -4.865415231 0.488450
34 -4.856919032 0.452581
35 -4.831282173 0.346920
36 -4.808251742 0.258730
37 -4.770851937 0.137426
38 -4.753559391 0.092504
39 -4.673897122 -0.021879
40 -4.630990744 -0.035211
41 -4.563551732 -0.026617
42 -4.429882196 -0.004107
43 -4.330582248 -0.000480
44 -4.247864365 -0.000052
45 -4.176600583 -0.000006
46 -4.067159122 -0.000000
47 -3.956465995 -0.000000
0.0000000E+00 0.0000000E+00 0.5000000E+00 0.2500000E+00
1 -19.756064060 1.000000
2 -16.581875405 1.000000
3 -16.370992853 1.000000
4 -16.348878703 1.000000
5 -12.998006850 1.000000
6 -11.750065711 1.000000
7 -11.646430052 1.000000
8 -11.581829817 1.000000
9 -11.561964779 1.000000
10 -11.000990165 1.000000
11 -7.279335974 1.000000
12 -7.179131316 1.000000
13 -6.578480688 1.000000
14 -6.549904679 1.000000
15 -6.428530648 1.000000
16 -6.344992114 1.000000
17 -5.981169162 1.000000
18 -5.692393457 1.000000
19 -5.573291034 1.000004
20 -5.401107953 1.000537
21 -5.325454885 1.002848
22 -5.207307260 1.018730
23 -5.134213225 1.033976
24 -5.105002277 1.035191
25 -5.069762505 1.025946
26 -5.025089212 0.986035
27 -4.981253634 0.903952
28 -4.947782609 0.809181
29 -4.938757714 0.779143
30 -4.930410567 0.749845
31 -4.905342507 0.654417
32 -4.879396297 0.547525
33 -4.852712362 0.434913
34 -4.836359556 0.367370
35 -4.828157406 0.334491
36 -4.788102884 0.189514
37 -4.767572465 0.128334
38 -4.753835075 0.093161
39 -4.650138352 -0.032124
40 -4.619018332 -0.035393
41 -4.549772707 -0.023442
42 -4.435314159 -0.004540
43 -4.333079838 -0.000511
44 -4.251119727 -0.000058
45 -4.182214261 -0.000007
46 -4.068067172 -0.000000
47 -3.957180480 -0.000000
0.0000000E+00 0.5000000E+00 0.5000000E+00 0.2500000E+00
1 -19.755970640 1.000000
2 -16.581857351 1.000000
3 -16.370978312 1.000000
4 -16.348866932 1.000000
5 -12.997971618 1.000000
6 -11.750057387 1.000000
7 -11.646482809 1.000000
8 -11.581832537 1.000000
9 -11.561887584 1.000000
10 -11.000987431 1.000000
11 -7.280181822 1.000000
12 -7.179292011 1.000000
13 -6.580454361 1.000000
14 -6.546326382 1.000000
15 -6.430503281 1.000000
16 -6.342879794 1.000000
17 -5.984502272 1.000000
18 -5.686656796 1.000000
19 -5.579994336 1.000003
20 -5.386860450 1.000755
21 -5.344255882 1.001942
22 -5.167689715 1.027753
23 -5.156383081 1.030174
24 -5.109902179 1.035418
25 -5.071613167 1.026834
26 -5.023888978 0.984401
27 -4.960291891 0.847776
28 -4.951997030 0.822590
29 -4.919659259 0.710164
30 -4.915378251 0.693813
31 -4.900080591 0.633239
32 -4.877041151 0.537602
33 -4.859845694 0.464916
34 -4.849101816 0.419825
35 -4.825551276 0.324224
36 -4.802409701 0.237807
37 -4.763311006 0.116917
38 -4.753969637 0.093483
39 -4.672351100 -0.022805
40 -4.631633488 -0.035168
41 -4.568586811 -0.027750
42 -4.430580629 -0.004161
43 -4.333542220 -0.000516
44 -4.248057116 -0.000053
45 -4.177386785 -0.000006
46 -4.071527487 -0.000000
47 -3.944459385 -0.000000