./iterations/neb1_max2_image01_iter87_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 -19.747829529 1.000000
2 -16.587539391 1.000000
3 -16.370481594 1.000000
4 -16.347452474 1.000000
5 -12.992659855 1.000000
6 -11.747523772 1.000000
7 -11.644597813 1.000000
8 -11.580662915 1.000000
9 -11.544086150 1.000000
10 -10.991963361 1.000000
11 -7.286125836 1.000000
12 -7.189080166 1.000000
13 -6.578332064 1.000000
14 -6.509677398 1.000000
15 -6.424794228 1.000000
16 -6.346192333 1.000000
17 -5.979268856 1.000000
18 -5.698525569 1.000000
19 -5.579852929 1.000003
20 -5.411745387 1.000400
21 -5.335419337 1.002265
22 -5.223606487 1.015042
23 -5.155386335 1.030092
24 -5.067702090 1.025616
25 -5.045065641 1.009914
26 -5.001654025 0.950667
27 -4.985131249 0.916357
28 -4.966729396 0.870050
29 -4.931803919 0.759798
30 -4.917802892 0.708428
31 -4.892820817 0.609295
32 -4.887266233 0.586320
33 -4.856590596 0.457086
34 -4.844753018 0.407557
35 -4.828940046 0.343152
36 -4.805520503 0.253898
37 -4.771294101 0.142644
38 -4.748685867 0.084383
39 -4.651582504 -0.031312
40 -4.617541233 -0.035390
41 -4.549519594 -0.023707
42 -4.435942010 -0.004711
43 -4.327108866 -0.000457
44 -4.246621774 -0.000053
45 -4.181955625 -0.000007
46 -4.077644970 -0.000000
47 -3.953124017 -0.000000
0.0000000E+00 0.5000000E+00 0.0000000E+00 0.2500000E+00
1 -19.747708678 1.000000
2 -16.587513457 1.000000
3 -16.370464103 1.000000
4 -16.347436707 1.000000
5 -12.992613426 1.000000
6 -11.747513042 1.000000
7 -11.644634605 1.000000
8 -11.580698280 1.000000
9 -11.543993445 1.000000
10 -10.991963243 1.000000
11 -7.286993350 1.000000
12 -7.189273624 1.000000
13 -6.578816375 1.000000
14 -6.507433904 1.000000
15 -6.426789963 1.000000
16 -6.343992670 1.000000
17 -5.982509513 1.000000
18 -5.693002630 1.000000
19 -5.585538253 1.000002
20 -5.400904450 1.000522
21 -5.353792354 1.001539
22 -5.200643001 1.019896
23 -5.156880509 1.029784
24 -5.069777716 1.026629
25 -5.041728971 1.006808
26 -4.996509600 0.940718
27 -4.990062227 0.927314
28 -4.952186901 0.827537
29 -4.915683513 0.700354
30 -4.910545448 0.680490
31 -4.900598151 0.640986
32 -4.868816859 0.508758
33 -4.864707176 0.491369
34 -4.856521662 0.456795
35 -4.828944715 0.343171
36 -4.806352906 0.256911
37 -4.770321832 0.139877
38 -4.751724142 0.091466
39 -4.674192456 -0.020820
40 -4.630019975 -0.035183
41 -4.569269515 -0.028210
42 -4.432668645 -0.004437
43 -4.327259237 -0.000458
44 -4.243777499 -0.000048
45 -4.176874140 -0.000006
46 -4.080160572 -0.000000
47 -3.963693064 -0.000000
0.0000000E+00 0.0000000E+00 0.5000000E+00 0.2500000E+00
1 -19.747705936 1.000000
2 -16.587514203 1.000000
3 -16.370463341 1.000000
4 -16.347434374 1.000000
5 -12.992615420 1.000000
6 -11.747348089 1.000000
7 -11.644764868 1.000000
8 -11.580707131 1.000000
9 -11.544066070 1.000000
10 -10.991959872 1.000000
11 -7.285942913 1.000000
12 -7.189142041 1.000000
13 -6.577707355 1.000000
14 -6.509844947 1.000000
15 -6.424749643 1.000000
16 -6.345664626 1.000000
17 -5.979043897 1.000000
18 -5.699596469 1.000000
19 -5.580359524 1.000003
20 -5.412301190 1.000394
21 -5.336006464 1.002238
22 -5.203863838 1.019180
23 -5.128148487 1.034528
24 -5.098974798 1.034779
25 -5.065928775 1.024698
26 -5.022482579 0.984390
27 -4.979704092 0.903586
28 -4.947092092 0.811461
29 -4.937424254 0.779365
30 -4.929293379 0.750854
31 -4.904411929 0.656283
32 -4.876866123 0.542758
33 -4.851126929 0.434129
34 -4.836453983 0.373436
35 -4.826868792 0.334924
36 -4.786441837 0.188668
37 -4.766662202 0.129670
38 -4.753076442 0.094693
39 -4.649615408 -0.031885
40 -4.618809321 -0.035424
41 -4.555435951 -0.025076
42 -4.437761105 -0.004869
43 -4.329920239 -0.000489
44 -4.247003977 -0.000053
45 -4.182830621 -0.000007
46 -4.080530837 -0.000000
47 -3.962987907 -0.000000
0.0000000E+00 0.5000000E+00 0.5000000E+00 0.2500000E+00
1 -19.747611107 1.000000
2 -16.587496509 1.000000
3 -16.370448920 1.000000
4 -16.347422332 1.000000
5 -12.992580455 1.000000
6 -11.747338568 1.000000
7 -11.644804414 1.000000
8 -11.580721524 1.000000
9 -11.543992428 1.000000
10 -10.991957909 1.000000
11 -7.286792313 1.000000
12 -7.189314533 1.000000
13 -6.578144369 1.000000
14 -6.507711420 1.000000
15 -6.426752920 1.000000
16 -6.343577940 1.000000
17 -5.982326029 1.000000
18 -5.693830490 1.000000
19 -5.586017602 1.000002
20 -5.399738819 1.000537
21 -5.353955845 1.001534
22 -5.162542671 1.028578
23 -5.154012123 1.030372
24 -5.104033141 1.035220
25 -5.068694470 1.026109
26 -5.018157846 0.978230
27 -4.960699018 0.853040
28 -4.949714427 0.819809
29 -4.918128381 0.709661
30 -4.914040962 0.694048
31 -4.898979240 0.634442
32 -4.876059919 0.539360
33 -4.859493260 0.469329
34 -4.847792264 0.420194
35 -4.823590106 0.322018
36 -4.800420809 0.235728
37 -4.762938851 0.119624
38 -4.751992415 0.092102
39 -4.672775124 -0.021710
40 -4.630764352 -0.035129
41 -4.574627550 -0.029367
42 -4.433510493 -0.004507
43 -4.330249272 -0.000493
44 -4.243862601 -0.000049
45 -4.177699109 -0.000006
46 -4.084204596 -0.000000
47 -3.954020883 -0.000000