./iterations/neb1_max2_image01_iter122_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 -19.750660339 1.000000
2 -16.585923510 1.000000
3 -16.371249160 1.000000
4 -16.348306668 1.000000
5 -12.994162105 1.000000
6 -11.748296366 1.000000
7 -11.645159341 1.000000
8 -11.581006984 1.000000
9 -11.549073206 1.000000
10 -10.994674631 1.000000
11 -7.284294591 1.000000
12 -7.186172421 1.000000
13 -6.577736126 1.000000
14 -6.521535298 1.000000
15 -6.425883094 1.000000
16 -6.346057167 1.000000
17 -5.979808252 1.000000
18 -5.696450606 1.000000
19 -5.578068063 1.000003
20 -5.408783747 1.000437
21 -5.332401393 1.002440
22 -5.224751444 1.014942
23 -5.157190816 1.029851
24 -5.069021273 1.025959
25 -5.045644676 1.009867
26 -5.003182867 0.952335
27 -4.985653095 0.916105
28 -4.968044324 0.871920
29 -4.932616282 0.760436
30 -4.917899695 0.706396
31 -4.893714535 0.610372
32 -4.887666124 0.585356
33 -4.857037388 0.456306
34 -4.845611952 0.408498
35 -4.829194425 0.341648
36 -4.806348039 0.254605
37 -4.771487918 0.141394
38 -4.749076360 0.083831
39 -4.651969780 -0.031386
40 -4.617715256 -0.035375
41 -4.548032886 -0.023217
42 -4.435347330 -0.004607
43 -4.328062573 -0.000460
44 -4.247870023 -0.000054
45 -4.181786418 -0.000007
46 -4.074113741 -0.000000
47 -3.950032173 -0.000000
0.0000000E+00 0.5000000E+00 0.0000000E+00 0.2500000E+00
1 -19.750539826 1.000000
2 -16.585897540 1.000000
3 -16.371231619 1.000000
4 -16.348290987 1.000000
5 -12.994115577 1.000000
6 -11.748285937 1.000000
7 -11.645199268 1.000000
8 -11.581043233 1.000000
9 -11.548975985 1.000000
10 -10.994674256 1.000000
11 -7.285163458 1.000000
12 -7.186362377 1.000000
13 -6.578510158 1.000000
14 -6.519039555 1.000000
15 -6.427872366 1.000000
16 -6.343836554 1.000000
17 -5.983062622 1.000000
18 -5.690937837 1.000000
19 -5.584034103 1.000002
20 -5.397571282 1.000575
21 -5.351050259 1.001655
22 -5.201993752 1.019735
23 -5.157498164 1.029787
24 -5.071016754 1.026913
25 -5.043535716 1.007927
26 -4.998120691 0.942662
27 -4.991341969 0.928708
28 -4.952232719 0.825718
29 -4.915931651 0.698884
30 -4.911327871 0.681078
31 -4.900953623 0.639871
32 -4.869502904 0.508987
33 -4.865233464 0.490923
34 -4.857067354 0.456432
35 -4.829868306 0.344334
36 -4.807002406 0.256975
37 -4.770486219 0.138555
38 -4.752261962 0.091243
39 -4.674150619 -0.021247
40 -4.630567796 -0.035188
41 -4.567694398 -0.027722
42 -4.431950367 -0.004329
43 -4.328257962 -0.000462
44 -4.245047026 -0.000049
45 -4.176813683 -0.000006
46 -4.076539410 -0.000000
47 -3.961461428 -0.000000
0.0000000E+00 0.0000000E+00 0.5000000E+00 0.2500000E+00
1 -19.750536630 1.000000
2 -16.585898354 1.000000
3 -16.371230889 1.000000
4 -16.348288575 1.000000
5 -12.994117615 1.000000
6 -11.748119427 1.000000
7 -11.645328031 1.000000
8 -11.581056146 1.000000
9 -11.549047428 1.000000
10 -10.994671809 1.000000
11 -7.284112964 1.000000
12 -7.186234834 1.000000
13 -6.577033182 1.000000
14 -6.521775150 1.000000
15 -6.425836547 1.000000
16 -6.345515624 1.000000
17 -5.979579548 1.000000
18 -5.697570223 1.000000
19 -5.578566441 1.000003
20 -5.409337542 1.000431
21 -5.333013124 1.002410
22 -5.204859674 1.019100
23 -5.129898453 1.034405
24 -5.100695901 1.034894
25 -5.067318245 1.025096
26 -5.023296754 0.984640
27 -4.980228143 0.903325
28 -4.947477565 0.810668
29 -4.938153276 0.779697
30 -4.929942662 0.750916
31 -4.905070788 0.656390
32 -4.877898437 0.544445
33 -4.851925161 0.434825
34 -4.836699488 0.371863
35 -4.827524731 0.335019
36 -4.786987377 0.188390
37 -4.766915375 0.128632
38 -4.753307798 0.093732
39 -4.649961979 -0.031964
40 -4.618976583 -0.035413
41 -4.553890338 -0.024573
42 -4.437129119 -0.004759
43 -4.330869080 -0.000493
44 -4.248284112 -0.000054
45 -4.182660322 -0.000007
46 -4.077076233 -0.000000
47 -3.961079240 -0.000000
0.0000000E+00 0.5000000E+00 0.5000000E+00 0.2500000E+00
1 -19.750442235 1.000000
2 -16.585880550 1.000000
3 -16.371216438 1.000000
4 -16.348276615 1.000000
5 -12.994082583 1.000000
6 -11.748110211 1.000000
7 -11.645370755 1.000000
8 -11.581068406 1.000000
9 -11.548972190 1.000000
10 -10.994669624 1.000000
11 -7.284962001 1.000000
12 -7.186403127 1.000000
13 -6.577760001 1.000000
14 -6.519383321 1.000000
15 -6.427832240 1.000000
16 -6.343414553 1.000000
17 -5.982878867 1.000000
18 -5.691809305 1.000000
19 -5.584515273 1.000002
20 -5.396309994 1.000592
21 -5.351209190 1.001649
22 -5.163998867 1.028398
23 -5.154723550 1.030356
24 -5.105712533 1.035282
25 -5.069817027 1.026347
26 -5.019893730 0.979843
27 -4.960718269 0.851262
28 -4.950676084 0.820848
29 -4.918852520 0.710010
30 -4.914700899 0.694156
31 -4.899569357 0.634273
32 -4.876666764 0.539254
33 -4.859967843 0.468665
34 -4.848508914 0.420547
35 -4.824377130 0.322625
36 -4.801024568 0.235629
37 -4.763046578 0.118238
38 -4.752569787 0.091973
39 -4.672666968 -0.022161
40 -4.631298675 -0.035136
41 -4.572970059 -0.028878
42 -4.432751861 -0.004393
43 -4.331238314 -0.000497
44 -4.245166574 -0.000050
45 -4.177624554 -0.000006
46 -4.080678571 -0.000000
47 -3.951249748 -0.000000