./iterations/neb1_max2_image01_iter149_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 -19.760741168 1.000000
2 -16.579197903 1.000000
3 -16.372100546 1.000000
4 -16.350227179 1.000000
5 -13.001047836 1.000000
6 -11.751584017 1.000000
7 -11.646931245 1.000000
8 -11.582385836 1.000000
9 -11.571965784 1.000000
10 -11.005112801 1.000000
11 -7.276237638 1.000000
12 -7.174420689 1.000000
13 -6.590896884 1.000000
14 -6.560924620 1.000000
15 -6.430422824 1.000000
16 -6.345350910 1.000000
17 -5.983081721 1.000000
18 -5.687374998 1.000000
19 -5.569055308 1.000004
20 -5.394726118 1.000640
21 -5.319406939 1.003261
22 -5.229586516 1.014320
23 -5.164942293 1.028547
24 -5.073592668 1.027347
25 -5.047774642 1.010317
26 -5.010053911 0.961690
27 -4.987545242 0.916711
28 -4.972578391 0.879751
29 -4.934612414 0.761740
30 -4.916587697 0.695157
31 -4.895920383 0.612751
32 -4.887980394 0.579891
33 -4.857724459 0.452349
34 -4.847672201 0.410298
35 -4.828816204 0.333693
36 -4.809461940 0.260003
37 -4.772224271 0.138869
38 -4.750785836 0.084020
39 -4.652731481 -0.031641
40 -4.618154678 -0.035329
41 -4.541056896 -0.021239
42 -4.432200775 -0.004220
43 -4.331719005 -0.000484
44 -4.252466637 -0.000058
45 -4.181224530 -0.000007
46 -4.058275141 -0.000000
47 -3.927958054 -0.000000
0.0000000E+00 0.5000000E+00 0.0000000E+00 0.2500000E+00
1 -19.760621429 1.000000
2 -16.579171795 1.000000
3 -16.372082781 1.000000
4 -16.350211860 1.000000
5 -13.001000871 1.000000
6 -11.751575247 1.000000
7 -11.646990766 1.000000
8 -11.582438531 1.000000
9 -11.571830221 1.000000
10 -11.005111339 1.000000
11 -7.277107285 1.000000
12 -7.174603034 1.000000
13 -6.592803919 1.000000
14 -6.557414445 1.000000
15 -6.432375822 1.000000
16 -6.343103594 1.000000
17 -5.986372812 1.000000
18 -5.681935965 1.000000
19 -5.576310046 1.000003
20 -5.381928571 1.000863
21 -5.339251918 1.002193
22 -5.207365851 1.018906
23 -5.160314192 1.029538
24 -5.075217278 1.028057
25 -5.051267669 1.013307
26 -5.004555600 0.951865
27 -4.996179143 0.935461
28 -4.951334762 0.817792
29 -4.916446308 0.694613
30 -4.912249137 0.678322
31 -4.901376179 0.635002
32 -4.871404402 0.510150
33 -4.866095218 0.487687
34 -4.857381005 0.450904
35 -4.832726539 0.349256
36 -4.809314109 0.259465
37 -4.771170611 0.135906
38 -4.754494537 0.092682
39 -4.673929289 -0.022380
40 -4.631671534 -0.035223
41 -4.560548713 -0.025733
42 -4.428167368 -0.003914
43 -4.332098430 -0.000488
44 -4.249721365 -0.000054
45 -4.176644857 -0.000006
46 -4.060379292 -0.000000
47 -3.954046408 -0.000000
0.0000000E+00 0.0000000E+00 0.5000000E+00 0.2500000E+00
1 -19.760617088 1.000000
2 -16.579172876 1.000000
3 -16.372082180 1.000000
4 -16.350209117 1.000000
5 -13.001003127 1.000000
6 -11.751402630 1.000000
7 -11.647106289 1.000000
8 -11.582520260 1.000000
9 -11.571851288 1.000000
10 -11.005112888 1.000000
11 -7.276062558 1.000000
12 -7.174486846 1.000000
13 -6.589907793 1.000000
14 -6.561417140 1.000000
15 -6.430369710 1.000000
16 -6.344765069 1.000000
17 -5.982834389 1.000000
18 -5.688691226 1.000000
19 -5.569534120 1.000004
20 -5.395286281 1.000631
21 -5.320128892 1.003215
22 -5.209118837 1.018523
23 -5.137399428 1.033662
24 -5.108249286 1.035328
25 -5.071998589 1.026611
26 -5.026559132 0.986852
27 -4.982151204 0.904042
28 -4.948366007 0.808286
29 -4.939355774 0.778244
30 -4.930859407 0.748365
31 -4.905880532 0.653129
32 -4.881131428 0.551205
33 -4.853909119 0.436322
34 -4.836630281 0.364979
35 -4.828979351 0.334338
36 -4.788995633 0.189618
37 -4.768130206 0.127508
38 -4.754169173 0.091908
39 -4.650660251 -0.032214
40 -4.619303476 -0.035374
41 -4.546650269 -0.022522
42 -4.433814851 -0.004348
43 -4.334514604 -0.000518
44 -4.252983575 -0.000059
45 -4.182110652 -0.000007
46 -4.061526340 -0.000000
47 -3.955838450 -0.000000
0.0000000E+00 0.5000000E+00 0.5000000E+00 0.2500000E+00
1 -19.760523503 1.000000
2 -16.579154628 1.000000
3 -16.372067595 1.000000
4 -16.350197490 1.000000
5 -13.000967758 1.000000
6 -11.751395065 1.000000
7 -11.647169015 1.000000
8 -11.582500174 1.000000
9 -11.571785739 1.000000
10 -11.005109764 1.000000
11 -7.276905077 1.000000
12 -7.174644625 1.000000
13 -6.591843888 1.000000
14 -6.557906440 1.000000
15 -6.432325549 1.000000
16 -6.342658981 1.000000
17 -5.986186640 1.000000
18 -5.682982309 1.000000
19 -5.576794014 1.000003
20 -5.380160878 1.000899
21 -5.339343962 1.002189
22 -5.170464868 1.027325
23 -5.157528597 1.030116
24 -5.113043963 1.035455
25 -5.073441010 1.027278
26 -5.026830751 0.987213
27 -4.960697294 0.846436
28 -4.952873612 0.822640
29 -4.920568962 0.710350
30 -4.915911938 0.692553
31 -4.900744838 0.632443
32 -4.877958082 0.537840
33 -4.860328869 0.463324
34 -4.850067250 0.420262
35 -4.826825675 0.325848
36 -4.803408004 0.238293
37 -4.763560835 0.115318
38 -4.754973477 0.093826
39 -4.672311160 -0.023326
40 -4.632266053 -0.035183
41 -4.565408094 -0.026843
42 -4.428794780 -0.003960
43 -4.335045556 -0.000525
44 -4.249952486 -0.000054
45 -4.177421828 -0.000006
46 -4.064903437 -0.000000
47 -3.940632521 -0.000000