./iterations/neb1_max2_image01_iter107_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 -19.798571566 1.000000
2 -16.562649601 1.000000
3 -16.372574773 1.000000
4 -16.354634547 1.000000
5 -13.021530423 1.000000
6 -11.760372767 1.000000
7 -11.660773495 1.000000
8 -11.643544269 1.000000
9 -11.582868180 1.000000
10 -11.026751420 1.000000
11 -7.255444793 1.000000
12 -7.152774563 1.000000
13 -6.765548142 1.000000
14 -6.558049914 1.000000
15 -6.441648385 1.000000
16 -6.341946860 1.000000
17 -5.998766631 1.000000
18 -5.664022580 1.000000
19 -5.543369042 1.000011
20 -5.361210005 1.001477
21 -5.288875224 1.006056
22 -5.240263404 1.012940
23 -5.183395487 1.025115
24 -5.086485421 1.031023
25 -5.054637760 1.013409
26 -5.031523473 0.989109
27 -4.994964820 0.926008
28 -4.982291133 0.896411
29 -4.938710752 0.764737
30 -4.912670629 0.667212
31 -4.901803380 0.623540
32 -4.887748765 0.565354
33 -4.859493489 0.446134
34 -4.850774460 0.409698
35 -4.823543225 0.300517
36 -4.814695993 0.267280
37 -4.773491514 0.133324
38 -4.753662507 0.083175
39 -4.654224295 -0.032130
40 -4.618435427 -0.035173
41 -4.520243814 -0.016013
42 -4.420974564 -0.003206
43 -4.339415009 -0.000539
44 -4.262541057 -0.000071
45 -4.180363107 -0.000006
46 -4.018999556 -0.000000
47 -3.968079339 -0.000000
0.0000000E+00 0.5000000E+00 0.0000000E+00 0.2500000E+00
1 -19.798452174 1.000000
2 -16.562623074 1.000000
3 -16.372557121 1.000000
4 -16.354620203 1.000000
5 -13.021482402 1.000000
6 -11.760373880 1.000000
7 -11.661090733 1.000000
8 -11.643180954 1.000000
9 -11.582880368 1.000000
10 -11.026747283 1.000000
11 -7.256286296 1.000000
12 -7.153014337 1.000000
13 -6.765099382 1.000000
14 -6.557056878 1.000000
15 -6.443501380 1.000000
16 -6.339803276 1.000000
17 -6.002068946 1.000000
18 -5.658885961 1.000000
19 -5.554368121 1.000008
20 -5.345421388 1.002065
21 -5.311786690 1.004011
22 -5.217863504 1.017342
23 -5.164861016 1.029264
24 -5.088011474 1.031490
25 -5.073034667 1.025528
26 -5.021313374 0.974702
27 -5.010331809 0.956477
28 -4.948751489 0.798937
29 -4.921361059 0.701013
30 -4.912607461 0.666963
31 -4.901095638 0.620650
32 -4.875435578 0.513468
33 -4.867955320 0.481822
34 -4.855360924 0.428808
35 -4.836750777 0.352373
36 -4.813531712 0.263008
37 -4.772552929 0.130729
38 -4.758537926 0.094588
39 -4.672312415 -0.025096
40 -4.633320575 -0.035313
41 -4.540869953 -0.020460
42 -4.414771805 -0.002838
43 -4.340353314 -0.000551
44 -4.259649136 -0.000065
45 -4.176405886 -0.000005
46 -4.020865717 -0.000000
47 -3.969872198 -0.000000
0.0000000E+00 0.0000000E+00 0.5000000E+00 0.2500000E+00
1 -19.798448691 1.000000
2 -16.562624877 1.000000
3 -16.372556304 1.000000
4 -16.354616580 1.000000
5 -13.021485114 1.000000
6 -11.760173464 1.000000
7 -11.660944344 1.000000
8 -11.643598640 1.000000
9 -11.582851975 1.000000
10 -11.026758772 1.000000
11 -7.255297337 1.000000
12 -7.152861395 1.000000
13 -6.765224929 1.000000
14 -6.557752967 1.000000
15 -6.441584444 1.000000
16 -6.341317758 1.000000
17 -5.998489388 1.000000
18 -5.665714299 1.000000
19 -5.543761530 1.000011
20 -5.362011422 1.001451
21 -5.289588962 1.005982
22 -5.217609312 1.017396
23 -5.157693255 1.030736
24 -5.129334522 1.034936
25 -5.083711180 1.030097
26 -5.034927373 0.993391
27 -4.986250008 0.906092
28 -4.956703589 0.824464
29 -4.942108093 0.776545
30 -4.931658933 0.739498
31 -4.907777726 0.647723
32 -4.887801272 0.565574
33 -4.856858670 0.435077
34 -4.838576936 0.359723
35 -4.824785778 0.305288
36 -4.792906965 0.191763
37 -4.771464434 0.127746
38 -4.754296515 0.084625
39 -4.652105796 -0.032670
40 -4.619293186 -0.035224
41 -4.524965084 -0.016989
42 -4.422211120 -0.003284
43 -4.342236698 -0.000577
44 -4.263116273 -0.000072
45 -4.181387410 -0.000006
46 -4.021656857 -0.000000
47 -3.978960047 -0.000000
0.0000000E+00 0.5000000E+00 0.5000000E+00 0.2500000E+00
1 -19.798353385 1.000000
2 -16.562605481 1.000000
3 -16.372541938 1.000000
4 -16.354605824 1.000000
5 -13.021448906 1.000000
6 -11.760175507 1.000000
7 -11.661262603 1.000000
8 -11.643223708 1.000000
9 -11.582874285 1.000000
10 -11.026753386 1.000000
11 -7.256092799 1.000000
12 -7.153065323 1.000000
13 -6.764777396 1.000000
14 -6.556746997 1.000000
15 -6.443432779 1.000000
16 -6.339344722 1.000000
17 -6.001874852 1.000000
18 -5.660256572 1.000000
19 -5.554827618 1.000008
20 -5.341586445 1.002235
21 -5.310544518 1.004105
22 -5.187813662 1.024093
23 -5.161709861 1.029924
24 -5.133585314 1.034535
25 -5.083520856 1.030029
26 -5.042265232 1.001770
27 -4.970270341 0.864606
28 -4.952745708 0.811937
29 -4.927063116 0.722549
30 -4.918808885 0.691203
31 -4.902606143 0.626812
32 -4.880140249 0.533348
33 -4.860164855 0.448957
34 -4.849894899 0.406050
35 -4.831106668 0.329917
36 -4.808072962 0.243315
37 -4.765313563 0.111445
38 -4.759001038 0.095703
39 -4.670429370 -0.026047
40 -4.633631689 -0.035297
41 -4.544492537 -0.021282
42 -4.415053442 -0.002854
43 -4.343233006 -0.000591
44 -4.259968953 -0.000066
45 -4.177226725 -0.000005
46 -4.025213396 -0.000000
47 -3.966726543 -0.000000