./iterations/neb1_max2_image01_iter31_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 -25.263083868 1.000000
2 -20.271136279 1.000000
3 -19.964880663 1.000000
4 -19.305067575 1.000000
5 -14.002639146 1.000000
6 -13.135674756 1.000000
7 -12.628276472 1.000000
8 -12.517336737 1.000000
9 -12.413345211 1.000000
10 -11.787463176 1.000000
11 -11.004606807 1.000000
12 -10.782731139 1.000000
13 -9.545503053 1.000000
14 -9.320495450 1.000000
15 -9.188827394 1.000000
16 -8.770662906 1.000000
17 -8.674577731 1.000000
18 -8.394288957 1.000000
19 -8.236448291 1.000000
20 -8.106393962 1.000000
21 -7.824183846 1.000000
22 -7.686245029 1.000000
23 -7.594655277 1.000000
24 -7.469716286 1.000000
25 -7.193781499 1.000000
26 -7.028548919 1.000000
27 -6.990396389 1.000000
28 -6.865198865 1.000000
29 -6.735448129 1.000000
30 -5.979589666 1.000000
31 -5.175273263 1.008673
32 -4.941557783 0.991553
33 -0.695070760 -0.000000
34 -0.431913883 -0.000000
35 -0.116586911 -0.000000
36 0.143866199 -0.000000
37 0.283923701 -0.000000
38 0.400932115 -0.000000
39 0.531278195 -0.000000
40 0.586582629 0.000000
41 0.708119094 0.000000
42 0.796489156 0.000000
43 0.916608020 0.000000
44 0.973867832 0.000000
45 1.043044512 0.000000
46 1.133753927 0.000000
47 1.221926611 0.000000
0.0000000E+00 0.5000000E+00 0.0000000E+00 0.2500000E+00
1 -25.262938450 1.000000
2 -20.271107740 1.000000
3 -19.964854479 1.000000
4 -19.305048102 1.000000
5 -14.002555707 1.000000
6 -13.135661690 1.000000
7 -12.628209763 1.000000
8 -12.517317947 1.000000
9 -12.413253602 1.000000
10 -11.787260497 1.000000
11 -11.004507932 1.000000
12 -10.782568778 1.000000
13 -9.545248267 1.000000
14 -9.320400141 1.000000
15 -9.188714363 1.000000
16 -8.770585327 1.000000
17 -8.674496591 1.000000
18 -8.394243044 1.000000
19 -8.236263468 1.000000
20 -8.106340954 1.000000
21 -7.824218186 1.000000
22 -7.686198282 1.000000
23 -7.594577546 1.000000
24 -7.469530578 1.000000
25 -7.193704642 1.000000
26 -7.028506810 1.000000
27 -6.990340891 1.000000
28 -6.865103766 1.000000
29 -6.735362173 1.000000
30 -5.979407207 1.000000
31 -5.174902985 1.008724
32 -4.941476796 0.991452
33 -0.704133122 -0.000000
34 -0.366781854 -0.000000
35 -0.068371180 -0.000000
36 0.143910424 -0.000000
37 0.230432560 -0.000000
38 0.443189995 -0.000000
39 0.497250634 -0.000000
40 0.668604614 0.000000
41 0.775982145 0.000000
42 0.810005165 0.000000
43 0.834626573 0.000000
44 0.941835073 0.000000
45 0.956985690 0.000000
46 1.045207472 0.000000
47 1.230577050 0.000000
0.0000000E+00 0.0000000E+00 0.5000000E+00 0.2500000E+00
1 -25.262990924 1.000000
2 -20.271110572 1.000000
3 -19.964820395 1.000000
4 -19.305052071 1.000000
5 -14.002485510 1.000000
6 -13.135642523 1.000000
7 -12.628174559 1.000000
8 -12.517336021 1.000000
9 -12.413248482 1.000000
10 -11.787366184 1.000000
11 -11.004513267 1.000000
12 -10.782632325 1.000000
13 -9.545338634 1.000000
14 -9.320406991 1.000000
15 -9.188757795 1.000000
16 -8.770550990 1.000000
17 -8.674407400 1.000000
18 -8.394246898 1.000000
19 -8.236365719 1.000000
20 -8.106377407 1.000000
21 -7.824129654 1.000000
22 -7.686210637 1.000000
23 -7.594600789 1.000000
24 -7.469561949 1.000000
25 -7.193648300 1.000000
26 -7.028656775 1.000000
27 -6.990450265 1.000000
28 -6.865370483 1.000000
29 -6.735308614 1.000000
30 -5.979109469 1.000000
31 -5.174861499 1.008730
32 -4.941186869 0.991087
33 -0.704019405 -0.000000
34 -0.435803639 -0.000000
35 -0.012367531 -0.000000
36 0.158331204 -0.000000
37 0.284915421 -0.000000
38 0.430247305 -0.000000
39 0.488670974 -0.000000
40 0.594729208 0.000000
41 0.669985661 0.000000
42 0.760794221 0.000000
43 0.860087024 0.000000
44 1.022313175 0.000000
45 1.078319507 0.000000
46 1.094898243 0.000000
47 1.177584830 0.000000
0.0000000E+00 0.5000000E+00 0.5000000E+00 0.2500000E+00
1 -25.262876435 1.000000
2 -20.271091334 1.000000
3 -19.964824011 1.000000
4 -19.304994613 1.000000
5 -14.002429010 1.000000
6 -13.135599064 1.000000
7 -12.628148989 1.000000
8 -12.517281427 1.000000
9 -12.413195560 1.000000
10 -11.787195303 1.000000
11 -11.004402022 1.000000
12 -10.782416842 1.000000
13 -9.545200001 1.000000
14 -9.320320669 1.000000
15 -9.188663621 1.000000
16 -8.770458395 1.000000
17 -8.674313252 1.000000
18 -8.394193382 1.000000
19 -8.236184503 1.000000
20 -8.106331273 1.000000
21 -7.824162473 1.000000
22 -7.686168073 1.000000
23 -7.594581194 1.000000
24 -7.469466773 1.000000
25 -7.193579751 1.000000
26 -7.028668683 1.000000
27 -6.990352496 1.000000
28 -6.865242907 1.000000
29 -6.735232851 1.000000
30 -5.979150924 1.000000
31 -5.174646048 1.008759
32 -4.941135186 0.991022
33 -0.711570438 -0.000000
34 -0.381890113 -0.000000
35 0.041757888 -0.000000
36 0.161545794 -0.000000
37 0.293841214 -0.000000
38 0.446556437 -0.000000
39 0.486459778 -0.000000
40 0.591741924 0.000000
41 0.714306645 0.000000
42 0.834611394 0.000000
43 0.853226580 0.000000
44 0.939289922 0.000000
45 0.965486648 0.000000
46 1.017711175 0.000000
47 1.104023716 0.000000