./iterations/neb1_max2_image01_iter5_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 -25.242472489 1.000000
2 -20.333409197 1.000000
3 -19.966235383 1.000000
4 -19.293725532 1.000000
5 -14.085614208 1.000000
6 -13.174274618 1.000000
7 -12.604250233 1.000000
8 -12.522715135 1.000000
9 -12.443521408 1.000000
10 -11.627053405 1.000000
11 -11.036082174 1.000000
12 -10.763676681 1.000000
13 -9.574022380 1.000000
14 -9.351228926 1.000000
15 -9.222755488 1.000000
16 -8.780708095 1.000000
17 -8.677117050 1.000000
18 -8.402377558 1.000000
19 -8.214764731 1.000000
20 -8.111243416 1.000000
21 -7.846976105 1.000000
22 -7.713716631 1.000000
23 -7.614169625 1.000000
24 -7.497601598 1.000000
25 -7.200152451 1.000000
26 -7.019637182 1.000000
27 -6.986036120 1.000000
28 -6.845480823 1.000000
29 -6.706021989 1.000000
30 -6.015054972 1.000000
31 -5.187532540 1.011259
32 -4.968922710 0.988952
33 -0.681216806 -0.000000
34 -0.421342480 -0.000000
35 -0.121064861 -0.000000
36 0.148140779 -0.000000
37 0.287253697 -0.000000
38 0.396587267 -0.000000
39 0.534635356 0.000000
40 0.582981506 0.000000
41 0.698121932 0.000000
42 0.799899600 0.000000
43 0.913982698 0.000000
44 0.973611483 0.000000
45 1.045634338 0.000000
46 1.129608942 0.000000
47 1.221474517 0.000000
0.0000000E+00 0.5000000E+00 0.0000000E+00 0.2500000E+00
1 -25.242324682 1.000000
2 -20.333380637 1.000000
3 -19.966209171 1.000000
4 -19.293704170 1.000000
5 -14.085527504 1.000000
6 -13.174261085 1.000000
7 -12.604186496 1.000000
8 -12.522698615 1.000000
9 -12.443425733 1.000000
10 -11.626867916 1.000000
11 -11.035981246 1.000000
12 -10.763490898 1.000000
13 -9.573774095 1.000000
14 -9.351137426 1.000000
15 -9.222632234 1.000000
16 -8.780636932 1.000000
17 -8.677042793 1.000000
18 -8.402342610 1.000000
19 -8.214573933 1.000000
20 -8.111192394 1.000000
21 -7.846999852 1.000000
22 -7.713670648 1.000000
23 -7.614091695 1.000000
24 -7.497391992 1.000000
25 -7.200080717 1.000000
26 -7.019611605 1.000000
27 -6.985960661 1.000000
28 -6.845389492 1.000000
29 -6.705952806 1.000000
30 -6.014868453 1.000000
31 -5.187172984 1.011319
32 -4.968824886 0.988825
33 -0.689871509 -0.000000
34 -0.355345643 -0.000000
35 -0.073686122 -0.000000
36 0.148136469 -0.000000
37 0.226195870 -0.000000
38 0.440584260 -0.000000
39 0.500418146 -0.000000
40 0.668953933 0.000000
41 0.772196119 0.000000
42 0.809856991 0.000000
43 0.833893485 0.000000
44 0.943725503 0.000000
45 0.952017062 0.000000
46 1.045916641 0.000000
47 1.224563542 0.000000
0.0000000E+00 0.0000000E+00 0.5000000E+00 0.2500000E+00
1 -25.242375286 1.000000
2 -20.333382691 1.000000
3 -19.966177078 1.000000
4 -19.293709043 1.000000
5 -14.085453106 1.000000
6 -13.174241734 1.000000
7 -12.604170363 1.000000
8 -12.522717143 1.000000
9 -12.443415923 1.000000
10 -11.626978357 1.000000
11 -11.035978492 1.000000
12 -10.763580039 1.000000
13 -9.573858445 1.000000
14 -9.351157894 1.000000
15 -9.222686390 1.000000
16 -8.780582002 1.000000
17 -8.676947826 1.000000
18 -8.402319684 1.000000
19 -8.214686070 1.000000
20 -8.111222921 1.000000
21 -7.846931586 1.000000
22 -7.713672374 1.000000
23 -7.614104201 1.000000
24 -7.497438262 1.000000
25 -7.200010814 1.000000
26 -7.019724143 1.000000
27 -6.986067226 1.000000
28 -6.845677473 1.000000
29 -6.705875378 1.000000
30 -6.014579023 1.000000
31 -5.187081737 1.011334
32 -4.968590269 0.988519
33 -0.689160941 -0.000000
34 -0.427188154 -0.000000
35 -0.014224858 -0.000000
36 0.161447143 -0.000000
37 0.278891656 -0.000000
38 0.425610648 -0.000000
39 0.487186031 -0.000000
40 0.596449813 0.000000
41 0.669004589 0.000000
42 0.760879607 0.000000
43 0.858338239 0.000000
44 1.026877405 0.000000
45 1.076319184 0.000000
46 1.094756141 0.000000
47 1.185269842 0.000000
0.0000000E+00 0.5000000E+00 0.5000000E+00 0.2500000E+00
1 -25.242263229 1.000000
2 -20.333363833 1.000000
3 -19.966181848 1.000000
4 -19.293652866 1.000000
5 -14.085406854 1.000000
6 -13.174200184 1.000000
7 -12.604128301 1.000000
8 -12.522654571 1.000000
9 -12.443374340 1.000000
10 -11.626798113 1.000000
11 -11.035874639 1.000000
12 -10.763351710 1.000000
13 -9.573714091 1.000000
14 -9.351082156 1.000000
15 -9.222583487 1.000000
16 -8.780511987 1.000000
17 -8.676854898 1.000000
18 -8.402285569 1.000000
19 -8.214499212 1.000000
20 -8.111182015 1.000000
21 -7.846940651 1.000000
22 -7.713630493 1.000000
23 -7.614096757 1.000000
24 -7.497333907 1.000000
25 -7.199959688 1.000000
26 -7.019739634 1.000000
27 -6.985985030 1.000000
28 -6.845574558 1.000000
29 -6.705792175 1.000000
30 -6.014617984 1.000000
31 -5.186887087 1.011366
32 -4.968520038 0.988427
33 -0.696421229 -0.000000
34 -0.373198289 -0.000000
35 0.041334988 -0.000000
36 0.161649819 -0.000000
37 0.287971312 -0.000000
38 0.434844381 -0.000000
39 0.488395706 -0.000000
40 0.594039342 0.000000
41 0.715025821 0.000000
42 0.833617977 0.000000
43 0.851951725 0.000000
44 0.943375933 0.000000
45 0.958099326 0.000000
46 1.028685739 0.000000
47 1.102366485 0.000000