./iterations/neb1_max2_image01_iter102_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 -19.771819516 1.000000
2 -16.573286889 1.000000
3 -16.371037478 1.000000
4 -16.351630766 1.000000
5 -13.007592736 1.000000
6 -11.754734436 1.000000
7 -11.648689858 1.000000
8 -11.596790003 1.000000
9 -11.582285443 1.000000
10 -11.013705961 1.000000
11 -7.269139610 1.000000
12 -7.165617364 1.000000
13 -6.640856246 1.000000
14 -6.563065085 1.000000
15 -6.434347357 1.000000
16 -6.344395262 1.000000
17 -5.987281860 1.000000
18 -5.679465422 1.000000
19 -5.560471391 1.000006
20 -5.382994809 1.000863
21 -5.308448965 1.004097
22 -5.233612985 1.013757
23 -5.171539239 1.027319
24 -5.077271638 1.028479
25 -5.049783110 1.011163
26 -5.016994814 0.971410
27 -4.989333023 0.918393
28 -4.976367962 0.886945
29 -4.935991641 0.762910
30 -4.915049362 0.685157
31 -4.897879693 0.616491
32 -4.887589231 0.573888
33 -4.858157581 0.449765
34 -4.848405522 0.408994
35 -4.827408032 0.324024
36 -4.811600483 0.263990
37 -4.772721376 0.137318
38 -4.752040803 0.084496
39 -4.652961407 -0.031874
40 -4.618186646 -0.035282
41 -4.534452928 -0.019516
42 -4.429022814 -0.003900
43 -4.334718493 -0.000507
44 -4.256322731 -0.000063
45 -4.180746399 -0.000006
46 -4.044442533 -0.000000
47 -3.925500375 -0.000000
0.0000000E+00 0.5000000E+00 0.0000000E+00 0.2500000E+00
1 -19.771698391 1.000000
2 -16.573260645 1.000000
3 -16.371019636 1.000000
4 -16.351615771 1.000000
5 -13.007545413 1.000000
6 -11.754727720 1.000000
7 -11.648784417 1.000000
8 -11.596679805 1.000000
9 -11.582275314 1.000000
10 -11.013703568 1.000000
11 -7.270003938 1.000000
12 -7.165804444 1.000000
13 -6.641110673 1.000000
14 -6.561286262 1.000000
15 -6.436265646 1.000000
16 -6.342162728 1.000000
17 -5.990591655 1.000000
18 -5.674103887 1.000000
19 -5.568978453 1.000005
20 -5.368868509 1.001189
21 -5.329361879 1.002737
22 -5.211714382 1.018187
23 -5.162292004 1.029342
24 -5.078676377 1.029043
25 -5.058457139 1.018017
26 -5.010362541 0.960413
27 -5.000659181 0.942394
28 -4.950041787 0.810315
29 -4.917703161 0.695419
30 -4.912513142 0.675253
31 -4.901405701 0.630874
32 -4.872538168 0.510516
33 -4.866577853 0.485298
34 -4.856253894 0.441765
35 -4.834543163 0.352341
36 -4.810885733 0.261376
37 -4.771667955 0.134370
38 -4.756184727 0.094219
39 -4.673327004 -0.023344
40 -4.632064183 -0.035262
41 -4.554090266 -0.024000
42 -4.424314248 -0.003567
43 -4.335275591 -0.000514
44 -4.253593379 -0.000059
45 -4.176430308 -0.000005
46 -4.046349623 -0.000000
47 -3.954207839 -0.000000
0.0000000E+00 0.0000000E+00 0.5000000E+00 0.2500000E+00
1 -19.771695144 1.000000
2 -16.573261973 1.000000
3 -16.371019043 1.000000
4 -16.351612734 1.000000
5 -13.007547838 1.000000
6 -11.754548589 1.000000
7 -11.648873440 1.000000
8 -11.596892332 1.000000
9 -11.582197718 1.000000
10 -11.013708566 1.000000
11 -7.268971678 1.000000
12 -7.165688719 1.000000
13 -6.640382664 1.000000
14 -6.563005528 1.000000
15 -6.434289759 1.000000
16 -6.343787254 1.000000
17 -5.987019397 1.000000
18 -5.680932410 1.000000
19 -5.560939291 1.000006
20 -5.383585611 1.000851
21 -5.309256860 1.004035
22 -5.212490740 1.018019
23 -5.144197132 1.032787
24 -5.115220458 1.035458
25 -5.075548780 1.027749
26 -5.029439939 0.989259
27 -4.983584150 0.904972
28 -4.950104100 0.810515
29 -4.940199808 0.777546
30 -4.931114382 0.745506
31 -4.906307485 0.650646
32 -4.883340908 0.556090
33 -4.854676889 0.435151
34 -4.836673555 0.360919
35 -4.828626604 0.328812
36 -4.790432982 0.190876
37 -4.769254740 0.127718
38 -4.754559401 0.090353
39 -4.650868560 -0.032431
40 -4.619219952 -0.035330
41 -4.539784269 -0.020712
42 -4.430492561 -0.004009
43 -4.337516378 -0.000543
44 -4.256887631 -0.000064
45 -4.181669584 -0.000006
46 -4.047834375 -0.000000
47 -3.958924432 -0.000000
0.0000000E+00 0.5000000E+00 0.5000000E+00 0.2500000E+00
1 -19.771599710 1.000000
2 -16.573243331 1.000000
3 -16.371004460 1.000000
4 -16.351601398 1.000000
5 -13.007512176 1.000000
6 -11.754543036 1.000000
7 -11.648971834 1.000000
8 -11.596727868 1.000000
9 -11.582238001 1.000000
10 -11.013704653 1.000000
11 -7.269802518 1.000000
12 -7.165848175 1.000000
13 -6.640617560 1.000000
14 -6.561250840 1.000000
15 -6.436208273 1.000000
16 -6.341709619 1.000000
17 -5.990403233 1.000000
18 -5.675282079 1.000000
19 -5.569458290 1.000004
20 -5.366539312 1.001252
21 -5.329276078 1.002742
22 -5.176308042 1.026238
23 -5.159485257 1.029929
24 -5.119834007 1.035371
25 -5.076215818 1.028037
26 -5.032608587 0.993245
27 -4.962111436 0.847516
28 -4.953514989 0.821367
29 -4.922432392 0.713433
30 -4.916924365 0.692419
31 -4.901515085 0.631319
32 -4.878589249 0.536085
33 -4.859746039 0.456452
34 -4.850242003 0.416627
35 -4.828269162 0.327405
36 -4.805222997 0.241006
37 -4.764029552 0.113812
38 -4.756798822 0.095696
39 -4.671642523 -0.024283
40 -4.632538476 -0.035234
41 -4.558548993 -0.025032
42 -4.424798600 -0.003600
43 -4.338195860 -0.000552
44 -4.253882769 -0.000059
45 -4.177209560 -0.000006
46 -4.051122231 -0.000000
47 -3.941166769 -0.000000