./iterations/neb1_max2_image01_iter126_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 -19.746955153 1.000000
2 -16.587062601 1.000000
3 -16.373140776 1.000000
4 -16.348825598 1.000000
5 -12.992922871 1.000000
6 -11.747851849 1.000000
7 -11.644703624 1.000000
8 -11.580608286 1.000000
9 -11.545321579 1.000000
10 -10.993052646 1.000000
11 -7.285846930 1.000000
12 -7.188492763 1.000000
13 -6.578226983 1.000000
14 -6.512298007 1.000000
15 -6.425135045 1.000000
16 -6.346267773 1.000000
17 -5.979443995 1.000000
18 -5.698157782 1.000000
19 -5.579718562 1.000003
20 -5.410959590 1.000412
21 -5.334833872 1.002310
22 -5.223901705 1.015058
23 -5.155837677 1.030077
24 -5.068903187 1.026027
25 -5.045217778 1.009714
26 -5.001883775 0.950395
27 -4.985118161 0.915468
28 -4.966736733 0.869038
29 -4.931735354 0.758227
30 -4.917638377 0.706380
31 -4.892724912 0.607358
32 -4.887614493 0.586210
33 -4.857522554 0.459434
34 -4.846114218 0.411650
35 -4.829394823 0.343470
36 -4.806134729 0.254763
37 -4.771676837 0.142667
38 -4.748856596 0.083916
39 -4.652344701 -0.031193
40 -4.617929382 -0.035390
41 -4.549208759 -0.023549
42 -4.435668063 -0.004656
43 -4.327266803 -0.000454
44 -4.246817952 -0.000052
45 -4.182014994 -0.000007
46 -4.076958160 -0.000000
47 -3.952605743 -0.000000
0.0000000E+00 0.5000000E+00 0.0000000E+00 0.2500000E+00
1 -19.746834369 1.000000
2 -16.587036642 1.000000
3 -16.373123265 1.000000
4 -16.348809857 1.000000
5 -12.992876437 1.000000
6 -11.747841191 1.000000
7 -11.644741125 1.000000
8 -11.580644107 1.000000
9 -11.545227585 1.000000
10 -10.993052479 1.000000
11 -7.286715481 1.000000
12 -7.188685396 1.000000
13 -6.578763618 1.000000
14 -6.510008870 1.000000
15 -6.427129630 1.000000
16 -6.344064078 1.000000
17 -5.982686679 1.000000
18 -5.692636893 1.000000
19 -5.585430672 1.000002
20 -5.400084710 1.000537
21 -5.353267968 1.001569
22 -5.201006016 1.019898
23 -5.157087390 1.029819
24 -5.070945537 1.026999
25 -5.041893608 1.006605
26 -4.996684134 0.940317
27 -4.990115832 0.926619
28 -4.952615827 0.827704
29 -4.915457873 0.698053
30 -4.909755145 0.675931
31 -4.900712622 0.639936
32 -4.869074496 0.508262
33 -4.865517430 0.493212
34 -4.858152031 0.462088
35 -4.829722531 0.344778
36 -4.806795797 0.257158
37 -4.770688005 0.139852
38 -4.752024862 0.091290
39 -4.674480063 -0.020876
40 -4.630854588 -0.035150
41 -4.568958495 -0.028059
42 -4.432367366 -0.004383
43 -4.327423931 -0.000456
44 -4.243981750 -0.000048
45 -4.176967902 -0.000006
46 -4.079446296 -0.000000
47 -3.963324527 -0.000000
0.0000000E+00 0.0000000E+00 0.5000000E+00 0.2500000E+00
1 -19.746831523 1.000000
2 -16.587037422 1.000000
3 -16.373122508 1.000000
4 -16.348807495 1.000000
5 -12.992878421 1.000000
6 -11.747676215 1.000000
7 -11.644870561 1.000000
8 -11.580654034 1.000000
9 -11.545299952 1.000000
10 -10.993049302 1.000000
11 -7.285664309 1.000000
12 -7.188554885 1.000000
13 -6.577587064 1.000000
14 -6.512480097 1.000000
15 -6.425090249 1.000000
16 -6.345735771 1.000000
17 -5.979218541 1.000000
18 -5.699239418 1.000000
19 -5.580224471 1.000003
20 -5.411517617 1.000406
21 -5.335425730 1.002282
22 -5.204102473 1.019210
23 -5.128704906 1.034508
24 -5.099310081 1.034775
25 -5.067064238 1.025097
26 -5.022569537 0.983993
27 -4.979886829 0.903120
28 -4.947105897 0.810299
29 -4.936858988 0.776137
30 -4.929113165 0.748860
31 -4.904388912 0.654695
32 -4.877953108 0.545757
33 -4.852345386 0.437664
34 -4.836907512 0.373756
35 -4.827795104 0.337109
36 -4.786743377 0.188432
37 -4.767033445 0.129660
38 -4.753201072 0.094092
39 -4.650318529 -0.031793
40 -4.619232448 -0.035425
41 -4.555116614 -0.024916
42 -4.437476851 -0.004811
43 -4.330077674 -0.000487
44 -4.247201769 -0.000053
45 -4.182888512 -0.000007
46 -4.079866782 -0.000000
47 -3.962683747 -0.000000
0.0000000E+00 0.5000000E+00 0.5000000E+00 0.2500000E+00
1 -19.746736783 1.000000
2 -16.587019686 1.000000
3 -16.373108097 1.000000
4 -16.348795483 1.000000
5 -12.992843463 1.000000
6 -11.747666759 1.000000
7 -11.644910848 1.000000
8 -11.580668114 1.000000
9 -11.545225762 1.000000
10 -10.993047298 1.000000
11 -7.286514359 1.000000
12 -7.188726382 1.000000
13 -6.578076188 1.000000
14 -6.510299941 1.000000
15 -6.427091932 1.000000
16 -6.343646603 1.000000
17 -5.982503524 1.000000
18 -5.693474426 1.000000
19 -5.585911723 1.000002
20 -5.398898800 1.000553
21 -5.353430741 1.001564
22 -5.162975801 1.028565
23 -5.154226452 1.030404
24 -5.104245947 1.035209
25 -5.069821263 1.026472
26 -5.018349615 0.977960
27 -4.961461716 0.854160
28 -4.949225614 0.817077
29 -4.917604041 0.706249
30 -4.913486054 0.690459
31 -4.898985321 0.632947
32 -4.876955203 0.541554
33 -4.860905785 0.473712
34 -4.848677847 0.422323
35 -4.824463248 0.323970
36 -4.800703776 0.235405
37 -4.763211893 0.119354
38 -4.752277534 0.091889
39 -4.672980233 -0.021814
40 -4.631630689 -0.035091
41 -4.574314303 -0.029221
42 -4.433202266 -0.004450
43 -4.330416366 -0.000491
44 -4.244069599 -0.000048
45 -4.177791929 -0.000006
46 -4.083515448 -0.000000
47 -3.953557777 -0.000000