./iterations/neb1_max2_image01_iter92_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 -19.752522831 1.000000
2 -16.584594813 1.000000
3 -16.370951638 1.000000
4 -16.348381199 1.000000
5 -12.995291792 1.000000
6 -11.748846743 1.000000
7 -11.645461252 1.000000
8 -11.581285480 1.000000
9 -11.552799599 1.000000
10 -10.996378678 1.000000
11 -7.282798763 1.000000
12 -7.183929077 1.000000
13 -6.577579254 1.000000
14 -6.530400143 1.000000
15 -6.426605340 1.000000
16 -6.345886930 1.000000
17 -5.980177074 1.000000
18 -5.694742816 1.000000
19 -5.576451939 1.000003
20 -5.406160478 1.000469
21 -5.330005248 1.002573
22 -5.225580508 1.014826
23 -5.158522702 1.029622
24 -5.069637648 1.026145
25 -5.045981328 1.009957
26 -5.004306916 0.953967
27 -4.986010070 0.916382
28 -4.968879477 0.873552
29 -4.933042048 0.761107
30 -4.917667446 0.704615
31 -4.894093950 0.610962
32 -4.887682318 0.584442
33 -4.856979486 0.455069
34 -4.845773409 0.408190
35 -4.829080290 0.340256
36 -4.806835866 0.255517
37 -4.771581968 0.140991
38 -4.749361448 0.083943
39 -4.651997911 -0.031448
40 -4.617736535 -0.035367
41 -4.546847803 -0.022889
42 -4.434876189 -0.004548
43 -4.328697744 -0.000465
44 -4.248689386 -0.000054
45 -4.181616021 -0.000007
46 -4.071345388 -0.000000
47 -3.947550510 -0.000000
0.0000000E+00 0.5000000E+00 0.0000000E+00 0.2500000E+00
1 -19.752402669 1.000000
2 -16.584568821 1.000000
3 -16.370934053 1.000000
4 -16.348365579 1.000000
5 -12.995245184 1.000000
6 -11.748836559 1.000000
7 -11.645503773 1.000000
8 -11.581322678 1.000000
9 -11.552698463 1.000000
10 -10.996378110 1.000000
11 -7.283668285 1.000000
12 -7.184116939 1.000000
13 -6.578640155 1.000000
14 -6.527642223 1.000000
15 -6.428588911 1.000000
16 -6.343656324 1.000000
17 -5.983438723 1.000000
18 -5.689241395 1.000000
19 -5.582631053 1.000003
20 -5.394668111 1.000620
21 -5.348866704 1.001742
22 -5.202930310 1.019579
23 -5.157981165 1.029735
24 -5.071567092 1.027058
25 -5.044872700 1.008951
26 -4.999229242 0.944375
27 -4.992228752 0.930098
28 -4.951981803 0.824201
29 -4.915934876 0.697993
30 -4.911743383 0.681779
31 -4.901002171 0.639115
32 -4.869740264 0.508994
33 -4.865245492 0.489976
34 -4.856927134 0.454849
35 -4.830274402 0.345013
36 -4.807370157 0.257454
37 -4.770564573 0.138111
38 -4.752645209 0.091592
39 -4.674061593 -0.021450
40 -4.630671093 -0.035197
41 -4.566428038 -0.027386
42 -4.431382262 -0.004265
43 -4.328922111 -0.000467
44 -4.245885132 -0.000050
45 -4.176717426 -0.000006
46 -4.073710254 -0.000000
47 -3.959767250 -0.000000
0.0000000E+00 0.0000000E+00 0.5000000E+00 0.2500000E+00
1 -19.752399076 1.000000
2 -16.584569680 1.000000
3 -16.370933349 1.000000
4 -16.348363111 1.000000
5 -12.995247260 1.000000
6 -11.748669093 1.000000
7 -11.645630873 1.000000
8 -11.581339492 1.000000
9 -11.552768460 1.000000
10 -10.996376368 1.000000
11 -7.282618185 1.000000
12 -7.183991964 1.000000
13 -6.576795974 1.000000
14 -6.530715593 1.000000
15 -6.426557462 1.000000
16 -6.345335473 1.000000
17 -5.979945254 1.000000
18 -5.695898733 1.000000
19 -5.576945360 1.000003
20 -5.406714438 1.000463
21 -5.330636066 1.002541
22 -5.205592337 1.018990
23 -5.131146762 1.034289
24 -5.101980526 1.034995
25 -5.067991600 1.025322
26 -5.023862193 0.985091
27 -4.980554289 0.903544
28 -4.947603652 0.810315
29 -4.938456846 0.779929
30 -4.930202652 0.751003
31 -4.905183995 0.655901
32 -4.878291156 0.545106
33 -4.852088380 0.434522
34 -4.836570336 0.370379
35 -4.827680339 0.334702
36 -4.787328282 0.188728
37 -4.767074281 0.128422
38 -4.753456292 0.093524
39 -4.649982945 -0.032023
40 -4.618974300 -0.035407
41 -4.552663381 -0.024234
42 -4.436628975 -0.004695
43 -4.331501159 -0.000498
44 -4.249126876 -0.000055
45 -4.182490678 -0.000007
46 -4.074362119 -0.000000
47 -3.959669021 -0.000000
0.0000000E+00 0.5000000E+00 0.5000000E+00 0.2500000E+00
1 -19.752305051 1.000000
2 -16.584551800 1.000000
3 -16.370918874 1.000000
4 -16.348351208 1.000000
5 -12.995212170 1.000000
6 -11.748660126 1.000000
7 -11.645676255 1.000000
8 -11.581349769 1.000000
9 -11.552692135 1.000000
10 -10.996374016 1.000000
11 -7.283466593 1.000000
12 -7.184157661 1.000000
13 -6.577815195 1.000000
14 -6.528051351 1.000000
15 -6.428546756 1.000000
16 -6.343228839 1.000000
17 -5.983254508 1.000000
18 -5.690145318 1.000000
19 -5.583113337 1.000003
20 -5.393325189 1.000640
21 -5.349020230 1.001737
22 -5.165070935 1.028215
23 -5.155219777 1.030303
24 -5.106982069 1.035333
25 -5.070286820 1.026459
26 -5.021129436 0.981280
27 -4.960494951 0.849924
28 -4.951244730 0.821894
29 -4.919172448 0.710329
30 -4.915037794 0.694545
31 -4.899754754 0.634068
32 -4.876732906 0.538539
33 -4.859840069 0.467130
34 -4.848636579 0.420096
35 -4.824685434 0.322910
36 -4.801448450 0.236290
37 -4.763101701 0.117762
38 -4.752985406 0.092400
39 -4.672561421 -0.022366
40 -4.631373975 -0.035148
41 -4.571631594 -0.028537
42 -4.432152128 -0.004326
43 -4.331895741 -0.000503
44 -4.246029073 -0.000050
45 -4.177518402 -0.000006
46 -4.077919725 -0.000000
47 -3.949099232 -0.000000