./iterations/neb1_max2_image01_iter130_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 -19.748217120 1.000000
2 -16.588145286 1.000000
3 -16.370276678 1.000000
4 -16.347206100 1.000000
5 -12.991897485 1.000000
6 -11.747170542 1.000000
7 -11.644445422 1.000000
8 -11.580542198 1.000000
9 -11.542104700 1.000000
10 -10.991136027 1.000000
11 -7.286916310 1.000000
12 -7.190273442 1.000000
13 -6.578589980 1.000000
14 -6.504890813 1.000000
15 -6.424336548 1.000000
16 -6.346207738 1.000000
17 -5.979053289 1.000000
18 -5.699410778 1.000000
19 -5.580660312 1.000003
20 -5.413289715 1.000385
21 -5.336710259 1.002205
22 -5.223076267 1.015145
23 -5.154573000 1.030256
24 -5.067302783 1.025419
25 -5.044926565 1.009798
26 -5.001214719 0.949863
27 -4.985032913 0.916156
28 -4.966654513 0.869873
29 -4.932093638 0.760859
30 -4.918357629 0.710569
31 -4.893080065 0.610405
32 -4.887445962 0.587111
33 -4.856505790 0.456773
34 -4.844476811 0.406455
35 -4.828968079 0.343306
36 -4.805118087 0.252484
37 -4.771103946 0.142131
38 -4.748420365 0.083800
39 -4.651475661 -0.031341
40 -4.617407844 -0.035386
41 -4.550091416 -0.023842
42 -4.436167928 -0.004731
43 -4.326799965 -0.000453
44 -4.246204965 -0.000052
45 -4.181952993 -0.000007
46 -4.079038092 -0.000000
47 -3.954408599 -0.000000
0.0000000E+00 0.5000000E+00 0.0000000E+00 0.2500000E+00
1 -19.748096178 1.000000
2 -16.588119363 1.000000
3 -16.370259209 1.000000
4 -16.347190301 1.000000
5 -12.991851099 1.000000
6 -11.747159690 1.000000
7 -11.644481050 1.000000
8 -11.580577175 1.000000
9 -11.542013753 1.000000
10 -10.991136015 1.000000
11 -7.287783407 1.000000
12 -7.190468169 1.000000
13 -6.578982921 1.000000
14 -6.502722435 1.000000
15 -6.426334870 1.000000
16 -6.344016398 1.000000
17 -5.982289934 1.000000
18 -5.693880992 1.000000
19 -5.586245717 1.000002
20 -5.402588499 1.000501
21 -5.354965078 1.001500
22 -5.200093975 1.020016
23 -5.156440952 1.029873
24 -5.069442513 1.026475
25 -5.041111602 1.006220
26 -4.996120879 0.939960
27 -4.989883883 0.926951
28 -4.952455920 0.828401
29 -4.916056704 0.701821
30 -4.911287245 0.683424
31 -4.900683148 0.641372
32 -4.868993432 0.509550
33 -4.864574452 0.490853
34 -4.856253544 0.455710
35 -4.828615353 0.341900
36 -4.806062883 0.255898
37 -4.770136862 0.139383
38 -4.751394575 0.090711
39 -4.674076434 -0.020887
40 -4.629909833 -0.035189
41 -4.569905303 -0.028352
42 -4.432935375 -0.004460
43 -4.326943898 -0.000455
44 -4.243344003 -0.000048
45 -4.176828176 -0.000006
46 -4.081587662 -0.000000
47 -3.964671221 -0.000000
0.0000000E+00 0.0000000E+00 0.5000000E+00 0.2500000E+00
1 -19.748093580 1.000000
2 -16.588120085 1.000000
3 -16.370258433 1.000000
4 -16.347187998 1.000000
5 -12.991853072 1.000000
6 -11.746995029 1.000000
7 -11.644612309 1.000000
8 -11.580584660 1.000000
9 -11.542086552 1.000000
10 -10.991132244 1.000000
11 -7.286732877 1.000000
12 -7.190335122 1.000000
13 -6.577990147 1.000000
14 -6.505034844 1.000000
15 -6.424292768 1.000000
16 -6.345687039 1.000000
17 -5.978829842 1.000000
18 -5.700461803 1.000000
19 -5.581170389 1.000003
20 -5.413844567 1.000379
21 -5.337287697 1.002179
22 -5.203355809 1.019290
23 -5.127429474 1.034602
24 -5.098260945 1.034698
25 -5.065512718 1.024481
26 -5.022233438 0.984061
27 -4.979481530 0.903072
28 -4.947478273 0.812734
29 -4.938065178 0.781591
30 -4.929697450 0.752339
31 -4.904807711 0.657902
32 -4.876517149 0.541332
33 -4.850914139 0.433282
34 -4.836518025 0.373740
35 -4.826644299 0.334078
36 -4.786178097 0.187855
37 -4.766443861 0.129100
38 -4.752887676 0.094265
39 -4.649509262 -0.031911
40 -4.618692444 -0.035422
41 -4.556025865 -0.025215
42 -4.438004366 -0.004891
43 -4.329611340 -0.000486
44 -4.246574089 -0.000053
45 -4.182830198 -0.000007
46 -4.081891898 -0.000000
47 -3.963849345 -0.000000
0.0000000E+00 0.5000000E+00 0.5000000E+00 0.2500000E+00
1 -19.747998632 1.000000
2 -16.588102431 1.000000
3 -16.370244022 1.000000
4 -16.347175927 1.000000
5 -12.991818138 1.000000
6 -11.746985385 1.000000
7 -11.644650644 1.000000
8 -11.580599723 1.000000
9 -11.542013665 1.000000
10 -10.991130374 1.000000
11 -7.287582571 1.000000
12 -7.190509169 1.000000
13 -6.578336701 1.000000
14 -6.502977999 1.000000
15 -6.426299092 1.000000
16 -6.343605787 1.000000
17 -5.982106626 1.000000
18 -5.694690581 1.000000
19 -5.586724312 1.000002
20 -5.401462850 1.000515
21 -5.355129442 1.001495
22 -5.161885072 1.028719
23 -5.153638920 1.030445
24 -5.103388224 1.035177
25 -5.068381368 1.025960
26 -5.017562702 0.977365
27 -4.960747807 0.853211
28 -4.950166745 0.821267
29 -4.918678593 0.711782
30 -4.914508468 0.695887
31 -4.899170982 0.635261
32 -4.875933105 0.538870
33 -4.859289608 0.468514
34 -4.847668272 0.419721
35 -4.823275987 0.320831
36 -4.800095692 0.234624
37 -4.762779863 0.119231
38 -4.751651217 0.091318
39 -4.672661822 -0.021773
40 -4.630677495 -0.035135
41 -4.575303698 -0.029512
42 -4.433795259 -0.004531
43 -4.329933241 -0.000489
44 -4.243415102 -0.000048
45 -4.177661310 -0.000006
46 -4.085591901 -0.000000
47 -3.955189187 -0.000000