./iterations/neb1_max2_image01_iter132_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 -19.765944749 1.000000
2 -16.576266488 1.000000
3 -16.371340187 1.000000
4 -16.350649308 1.000000
5 -13.004272521 1.000000
6 -11.753163794 1.000000
7 -11.647832001 1.000000
8 -11.585548094 1.000000
9 -11.580572828 1.000000
10 -11.009101262 1.000000
11 -7.272669678 1.000000
12 -7.170016209 1.000000
13 -6.612910714 1.000000
14 -6.563350152 1.000000
15 -6.432433451 1.000000
16 -6.344795587 1.000000
17 -5.984964610 1.000000
18 -5.683455076 1.000000
19 -5.564928566 1.000005
20 -5.388974710 1.000741
21 -5.313976463 1.003652
22 -5.231534935 1.014039
23 -5.168138646 1.027949
24 -5.075231016 1.027862
25 -5.048686350 1.010707
26 -5.013328801 0.966419
27 -4.988374605 0.917529
28 -4.974444980 0.883438
29 -4.935301395 0.762511
30 -4.915814502 0.690361
31 -4.896802123 0.614439
32 -4.887759999 0.577010
33 -4.857742304 0.450445
34 -4.847878757 0.409203
35 -4.828122180 0.329098
36 -4.810563162 0.262306
37 -4.772538095 0.138427
38 -4.751447980 0.084459
39 -4.652737919 -0.031774
40 -4.618112592 -0.035306
41 -4.537934792 -0.020425
42 -4.430778518 -0.004074
43 -4.333261152 -0.000497
44 -4.254411437 -0.000061
45 -4.181004369 -0.000006
46 -4.051595861 -0.000000
47 -3.928396200 -0.000000
0.0000000E+00 0.5000000E+00 0.0000000E+00 0.2500000E+00
1 -19.765824268 1.000000
2 -16.576240319 1.000000
3 -16.371322360 1.000000
4 -16.350634147 1.000000
5 -13.004225374 1.000000
6 -11.753155930 1.000000
7 -11.647905028 1.000000
8 -11.585557900 1.000000
9 -11.580465535 1.000000
10 -11.009099350 1.000000
11 -7.273536871 1.000000
12 -7.170199790 1.000000
13 -6.613785338 1.000000
14 -6.560914351 1.000000
15 -6.434369171 1.000000
16 -6.342550755 1.000000
17 -5.988266722 1.000000
18 -5.678050683 1.000000
19 -5.572779622 1.000004
20 -5.375512376 1.001011
21 -5.334340390 1.002448
22 -5.209510907 1.018540
23 -5.161283742 1.029433
24 -5.076740112 1.028498
25 -5.054708060 1.015670
26 -5.007343195 0.956096
27 -4.998309139 0.938850
28 -4.950687386 0.814236
29 -4.916969388 0.694816
30 -4.912418713 0.677144
31 -4.901342341 0.632959
32 -4.871922194 0.510351
33 -4.866158749 0.485966
34 -4.856718406 0.446140
35 -4.833545604 0.350654
36 -4.810130538 0.260726
37 -4.771470773 0.135430
38 -4.755392762 0.093704
39 -4.673586598 -0.022861
40 -4.631762958 -0.035246
41 -4.557437236 -0.024908
42 -4.426432832 -0.003754
43 -4.333723830 -0.000502
44 -4.251681897 -0.000056
45 -4.176559374 -0.000006
46 -4.053596200 -0.000000
47 -3.952987994 -0.000000
0.0000000E+00 0.0000000E+00 0.5000000E+00 0.2500000E+00
1 -19.765820469 1.000000
2 -16.576241515 1.000000
3 -16.371321782 1.000000
4 -16.350631262 1.000000
5 -13.004227721 1.000000
6 -11.752980417 1.000000
7 -11.648010489 1.000000
8 -11.585816400 1.000000
9 -11.580322368 1.000000
10 -11.009102595 1.000000
11 -7.272497767 1.000000
12 -7.170084770 1.000000
13 -6.612265575 1.000000
14 -6.563481302 1.000000
15 -6.432378188 1.000000
16 -6.344197874 1.000000
17 -5.984709402 1.000000
18 -5.684847023 1.000000
19 -5.565402889 1.000005
20 -5.389545538 1.000731
21 -5.314743348 1.003599
22 -5.210755832 1.018269
23 -5.140636080 1.033258
24 -5.111602179 1.035427
25 -5.073616188 1.027144
26 -5.027924494 0.988036
27 -4.982839796 0.904569
28 -4.949064356 0.809023
29 -4.939807933 0.778182
30 -4.931011509 0.747218
31 -4.906011978 0.651773
32 -4.882050906 0.553094
33 -4.854174065 0.435462
34 -4.836430816 0.362269
35 -4.828904722 0.332184
36 -4.789745167 0.190518
37 -4.768720807 0.127836
38 -4.754431285 0.091414
39 -4.650659389 -0.032337
40 -4.619199019 -0.035352
41 -4.543407526 -0.021669
42 -4.432322585 -0.004193
43 -4.336056157 -0.000531
44 -4.254956146 -0.000062
45 -4.181906504 -0.000007
46 -4.054932089 -0.000000
47 -3.956340608 -0.000000
0.0000000E+00 0.5000000E+00 0.5000000E+00 0.2500000E+00
1 -19.765725983 1.000000
2 -16.576223080 1.000000
3 -16.371307180 1.000000
4 -16.350619777 1.000000
5 -13.004192201 1.000000
6 -11.752973743 1.000000
7 -11.648086989 1.000000
8 -11.585680768 1.000000
9 -11.580357263 1.000000
10 -11.009099088 1.000000
11 -7.273334757 1.000000
12 -7.170242409 1.000000
13 -6.613119971 1.000000
14 -6.561082083 1.000000
15 -6.434315464 1.000000
16 -6.342101411 1.000000
17 -5.988079364 1.000000
18 -5.679163368 1.000000
19 -5.573262332 1.000004
20 -5.373487561 1.001058
21 -5.334366138 1.002447
22 -5.173234969 1.026806
23 -5.158504493 1.030012
24 -5.116318185 1.035444
25 -5.074663617 1.027614
26 -5.029647498 0.990267
27 -4.961067652 0.846141
28 -4.953391224 0.822789
29 -4.921410415 0.711753
30 -4.916421085 0.692703
31 -4.901062729 0.631825
32 -4.878095014 0.536434
33 -4.859901289 0.459538
34 -4.850108073 0.418472
35 -4.827470471 0.326534
36 -4.804381817 0.240071
37 -4.763827893 0.114788
38 -4.755943862 0.095026
39 -4.671942482 -0.023800
40 -4.632295131 -0.035213
41 -4.562102204 -0.025982
42 -4.426988381 -0.003794
43 -4.336656860 -0.000539
44 -4.251945520 -0.000057
45 -4.177335345 -0.000006
46 -4.058254164 -0.000000
47 -3.938837518 -0.000000