./iterations/neb1_max2_image01_iter91_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 -19.747794015 1.000000
2 -16.588390771 1.000000
3 -16.369994265 1.000000
4 -16.347159388 1.000000
5 -12.991776686 1.000000
6 -11.746993638 1.000000
7 -11.644273287 1.000000
8 -11.580382932 1.000000
9 -11.541381805 1.000000
10 -10.990538467 1.000000
11 -7.287119082 1.000000
12 -7.190884779 1.000000
13 -6.578511647 1.000000
14 -6.502925434 1.000000
15 -6.424166186 1.000000
16 -6.346046414 1.000000
17 -5.979034074 1.000000
18 -5.699713965 1.000000
19 -5.581079406 1.000003
20 -5.413907493 1.000378
21 -5.337174544 1.002179
22 -5.222847026 1.015167
23 -5.154240337 1.030300
24 -5.067151322 1.025400
25 -5.044824120 1.009810
26 -5.000963481 0.949608
27 -4.984945731 0.916221
28 -4.966422159 0.869552
29 -4.931945240 0.760744
30 -4.918338905 0.710935
31 -4.892961934 0.610394
32 -4.887336136 0.587136
33 -4.856463664 0.457083
34 -4.844270258 0.406079
35 -4.828934902 0.343635
36 -4.804928775 0.252218
37 -4.771052488 0.142314
38 -4.748320484 0.083836
39 -4.651497098 -0.031299
40 -4.617405366 -0.035390
41 -4.550296250 -0.023916
42 -4.436208722 -0.004745
43 -4.326579999 -0.000452
44 -4.245927146 -0.000052
45 -4.182025754 -0.000007
46 -4.079712851 -0.000000
47 -3.955007642 -0.000000
0.0000000E+00 0.5000000E+00 0.0000000E+00 0.2500000E+00
1 -19.747673055 1.000000
2 -16.588364851 1.000000
3 -16.369976803 1.000000
4 -16.347143568 1.000000
5 -12.991730327 1.000000
6 -11.746982746 1.000000
7 -11.644308505 1.000000
8 -11.580417980 1.000000
9 -11.541291272 1.000000
10 -10.990538499 1.000000
11 -7.287985123 1.000000
12 -7.191080751 1.000000
13 -6.578873400 1.000000
14 -6.500783413 1.000000
15 -6.426165371 1.000000
16 -6.343856555 1.000000
17 -5.982269098 1.000000
18 -5.694181530 1.000000
19 -5.586613723 1.000002
20 -5.403277481 1.000491
21 -5.355382949 1.001483
22 -5.199849144 1.020045
23 -5.156274584 1.029883
24 -5.069303478 1.026464
25 -5.040815050 1.006043
26 -4.995833399 0.939615
27 -4.989695056 0.926793
28 -4.952381857 0.828530
29 -4.916044551 0.702217
30 -4.911204701 0.683552
31 -4.900638705 0.641659
32 -4.868846902 0.509419
33 -4.864478955 0.490938
34 -4.856079427 0.455464
35 -4.828477848 0.341813
36 -4.805926613 0.255823
37 -4.770089953 0.139578
38 -4.751284353 0.090724
39 -4.674059966 -0.020824
40 -4.629939437 -0.035179
41 -4.570121588 -0.028425
42 -4.432996871 -0.004475
43 -4.326715613 -0.000454
44 -4.243062457 -0.000048
45 -4.176875824 -0.000006
46 -4.082282721 -0.000000
47 -3.965136684 -0.000000
0.0000000E+00 0.0000000E+00 0.5000000E+00 0.2500000E+00
1 -19.747670491 1.000000
2 -16.588365566 1.000000
3 -16.369976021 1.000000
4 -16.347141283 1.000000
5 -12.991732279 1.000000
6 -11.746818406 1.000000
7 -11.644439798 1.000000
8 -11.580425055 1.000000
9 -11.541364146 1.000000
10 -10.990534582 1.000000
11 -7.286935316 1.000000
12 -7.190946472 1.000000
13 -6.577920244 1.000000
14 -6.503061191 1.000000
15 -6.424122856 1.000000
16 -6.345528975 1.000000
17 -5.978811096 1.000000
18 -5.700756467 1.000000
19 -5.581591252 1.000003
20 -5.414462275 1.000372
21 -5.337748020 1.002154
22 -5.203137146 1.019313
23 -5.127108812 1.034623
24 -5.097998294 1.034681
25 -5.065338506 1.024449
26 -5.022093052 0.984027
27 -4.979382253 0.903112
28 -4.947401233 0.812858
29 -4.937945769 0.781578
30 -4.929584881 0.752350
31 -4.904715094 0.657993
32 -4.876330962 0.541034
33 -4.850720631 0.432956
34 -4.836481678 0.374063
35 -4.826509062 0.334000
36 -4.786074703 0.187894
37 -4.766388510 0.129265
38 -4.752815413 0.094369
39 -4.649526321 -0.031874
40 -4.618699751 -0.035425
41 -4.556241995 -0.025291
42 -4.438051375 -0.004905
43 -4.329391996 -0.000484
44 -4.246288215 -0.000052
45 -4.182905264 -0.000007
46 -4.082551865 -0.000000
47 -3.964265315 -0.000000
0.0000000E+00 0.5000000E+00 0.5000000E+00 0.2500000E+00
1 -19.747575504 1.000000
2 -16.588347929 1.000000
3 -16.369961635 1.000000
4 -16.347129194 1.000000
5 -12.991697370 1.000000
6 -11.746808718 1.000000
7 -11.644477724 1.000000
8 -11.580440469 1.000000
9 -11.541291398 1.000000
10 -10.990532751 1.000000
11 -7.287784225 1.000000
12 -7.191121882 1.000000
13 -6.578236016 1.000000
14 -6.501031223 1.000000
15 -6.426130246 1.000000
16 -6.343448096 1.000000
17 -5.982085655 1.000000
18 -5.694983255 1.000000
19 -5.587092231 1.000002
20 -5.402167898 1.000505
21 -5.355547472 1.001478
22 -5.161602906 1.028755
23 -5.153467176 1.030456
24 -5.103131183 1.035167
25 -5.068259136 1.025957
26 -5.017264617 0.977093
27 -4.960678620 0.853346
28 -4.950017142 0.821160
29 -4.918588439 0.711878
30 -4.914435018 0.696050
31 -4.899094195 0.635419
32 -4.875836832 0.538951
33 -4.859144354 0.468389
34 -4.847501126 0.419506
35 -4.823120332 0.320674
36 -4.799977639 0.234615
37 -4.762757770 0.119479
38 -4.751536151 0.091319
39 -4.672643570 -0.021713
40 -4.630720326 -0.035123
41 -4.575535995 -0.029585
42 -4.433864447 -0.004546
43 -4.329706078 -0.000488
44 -4.243124811 -0.000048
45 -4.177713810 -0.000006
46 -4.086269694 -0.000000
47 -3.955739066 -0.000000