./iterations/neb1_max2_image01_iter117_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 -19.747477414 1.000000
2 -16.588027178 1.000000
3 -16.370732289 1.000000
4 -16.347379416 1.000000
5 -12.991892696 1.000000
6 -11.747105226 1.000000
7 -11.644420861 1.000000
8 -11.580522427 1.000000
9 -11.541847686 1.000000
10 -10.990774981 1.000000
11 -7.286938849 1.000000
12 -7.190476887 1.000000
13 -6.578578599 1.000000
14 -6.504171355 1.000000
15 -6.424177551 1.000000
16 -6.346134146 1.000000
17 -5.979043147 1.000000
18 -5.699381084 1.000000
19 -5.580859211 1.000003
20 -5.413562534 1.000381
21 -5.336770412 1.002200
22 -5.222978489 1.015153
23 -5.154439844 1.030271
24 -5.067424950 1.025511
25 -5.044841839 1.009775
26 -5.001051470 0.949667
27 -4.984923680 0.916041
28 -4.966418803 0.869386
29 -4.931890379 0.760349
30 -4.918166236 0.710067
31 -4.892856194 0.609726
32 -4.887420887 0.587252
33 -4.856617535 0.457492
34 -4.844629918 0.407334
35 -4.828978562 0.343582
36 -4.805127154 0.252729
37 -4.771087801 0.142253
38 -4.748349368 0.083772
39 -4.651622693 -0.031278
40 -4.617466212 -0.035390
41 -4.550134981 -0.023866
42 -4.436202745 -0.004739
43 -4.326771437 -0.000454
44 -4.246151136 -0.000052
45 -4.181965641 -0.000007
46 -4.079272287 -0.000000
47 -3.954620045 -0.000000
0.0000000E+00 0.5000000E+00 0.0000000E+00 0.2500000E+00
1 -19.747356473 1.000000
2 -16.588001250 1.000000
3 -16.370714822 1.000000
4 -16.347363614 1.000000
5 -12.991846321 1.000000
6 -11.747094359 1.000000
7 -11.644456330 1.000000
8 -11.580557383 1.000000
9 -11.541756945 1.000000
10 -10.990774983 1.000000
11 -7.287805600 1.000000
12 -7.190672185 1.000000
13 -6.578959561 1.000000
14 -6.502013435 1.000000
15 -6.426176903 1.000000
16 -6.343941996 1.000000
17 -5.982279310 1.000000
18 -5.693850811 1.000000
19 -5.586420132 1.000002
20 -5.402895222 1.000497
21 -5.355018577 1.001497
22 -5.200002224 1.020024
23 -5.156355353 1.029878
24 -5.069560357 1.026559
25 -5.040907654 1.006078
26 -4.995908414 0.939651
27 -4.989702966 0.926687
28 -4.952454042 0.828577
29 -4.915857511 0.701285
30 -4.910918262 0.682215
31 -4.900592790 0.641245
32 -4.868873275 0.509291
33 -4.864653412 0.491436
34 -4.856508387 0.457032
35 -4.828645016 0.342253
36 -4.806058995 0.256097
37 -4.770120777 0.139504
38 -4.751345840 0.090735
39 -4.674105538 -0.020831
40 -4.630079818 -0.035174
41 -4.569948381 -0.028374
42 -4.432976546 -0.004468
43 -4.326912030 -0.000455
44 -4.243290432 -0.000048
45 -4.176829608 -0.000006
46 -4.081830465 -0.000000
47 -3.964843195 -0.000000
0.0000000E+00 0.0000000E+00 0.5000000E+00 0.2500000E+00
1 -19.747353876 1.000000
2 -16.588001976 1.000000
3 -16.370714046 1.000000
4 -16.347361312 1.000000
5 -12.991848284 1.000000
6 -11.746929765 1.000000
7 -11.644587685 1.000000
8 -11.580564691 1.000000
9 -11.541829764 1.000000
10 -10.990771163 1.000000
11 -7.286755313 1.000000
12 -7.190538527 1.000000
13 -6.577981848 1.000000
14 -6.504312279 1.000000
15 -6.424133816 1.000000
16 -6.345614682 1.000000
17 -5.978819999 1.000000
18 -5.700428910 1.000000
19 -5.581369793 1.000003
20 -5.414117705 1.000376
21 -5.337346228 1.002174
22 -5.203251059 1.019300
23 -5.127325002 1.034606
24 -5.098148731 1.034692
25 -5.065601093 1.024560
26 -5.022116686 0.983981
27 -4.979419037 0.903063
28 -4.947326045 0.812435
29 -4.937701304 0.780550
30 -4.929493202 0.751819
31 -4.904607247 0.657338
32 -4.876588725 0.541881
33 -4.851034527 0.434032
34 -4.836530319 0.374030
35 -4.826732695 0.334660
36 -4.786170298 0.188019
37 -4.766417254 0.129188
38 -4.752820042 0.094244
39 -4.649640626 -0.031858
40 -4.618764392 -0.035425
41 -4.556073132 -0.025239
42 -4.438041339 -0.004899
43 -4.329583038 -0.000486
44 -4.246517193 -0.000053
45 -4.182845428 -0.000007
46 -4.082118081 -0.000000
47 -3.964006517 -0.000000
0.0000000E+00 0.5000000E+00 0.5000000E+00 0.2500000E+00
1 -19.747258917 1.000000
2 -16.587984322 1.000000
3 -16.370699646 1.000000
4 -16.347349240 1.000000
5 -12.991813362 1.000000
6 -11.746920107 1.000000
7 -11.644625858 1.000000
8 -11.580579850 1.000000
9 -11.541756969 1.000000
10 -10.990769306 1.000000
11 -7.287604744 1.000000
12 -7.190713187 1.000000
13 -6.578316597 1.000000
14 -6.502266023 1.000000
15 -6.426141258 1.000000
16 -6.343532233 1.000000
17 -5.982096005 1.000000
18 -5.694657400 1.000000
19 -5.586898619 1.000002
20 -5.401775655 1.000510
21 -5.355182671 1.001491
22 -5.161773116 1.028730
23 -5.153560191 1.030449
24 -5.103246284 1.035172
25 -5.068503786 1.026049
26 -5.017358651 0.977148
27 -4.960860239 0.853707
28 -4.949828318 0.820387
29 -4.918319770 0.710648
30 -4.914212701 0.694976
31 -4.899013191 0.634861
32 -4.875997573 0.539390
33 -4.859501740 0.469658
34 -4.847731413 0.420229
35 -4.823351954 0.321358
36 -4.800063183 0.234716
37 -4.762759188 0.119332
38 -4.751595547 0.091326
39 -4.672673667 -0.021730
40 -4.630858852 -0.035116
41 -4.575355099 -0.029535
42 -4.433839542 -0.004540
43 -4.329902282 -0.000490
44 -4.243358489 -0.000048
45 -4.177664925 -0.000006
46 -4.085827237 -0.000000
47 -3.955387139 -0.000000