./iterations/neb1_max2_image01_iter75_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 -19.931526565 1.000000
2 -19.356776011 1.000000
3 -18.034676173 1.000000
4 -17.363513738 1.000000
5 -16.593143323 1.000000
6 -13.776259226 1.000000
7 -12.436310373 1.000000
8 -12.036260516 1.000000
9 -11.826573195 1.000000
10 -11.667430086 1.000000
11 -11.282400071 1.000000
12 -9.688927113 1.000000
13 -8.651867490 1.000000
14 -8.246992764 1.000000
15 -8.034646778 1.000000
16 -7.794773606 1.000000
17 -7.660272051 1.000000
18 -6.890389228 1.000000
19 -6.776716338 1.000000
20 -6.728707988 1.000000
21 -6.516736846 1.000000
22 -6.424077334 1.000000
23 -6.293108740 1.000000
24 -6.260730278 1.000000
25 -6.103112825 1.000000
26 -5.883669372 1.000000
27 -5.445068829 1.000036
28 -5.337702985 1.000644
29 -5.200936869 1.009556
30 -4.928654942 0.911790
31 -4.911303533 0.867493
32 -4.851246964 0.661591
33 -4.778302895 0.358636
34 -4.729363169 0.180452
35 -4.641449902 -0.002600
36 -4.140680833 -0.000011
37 -3.830145841 -0.000000
38 -3.734879108 -0.000000
39 -3.303190202 -0.000000
40 -2.805369472 -0.000000
41 -2.534455471 -0.000000
42 -2.458154441 -0.000000
43 -2.074555693 -0.000000
44 -1.506714918 -0.000000
45 -1.326630221 -0.000000
46 -0.927027667 -0.000000
47 -0.867344254 -0.000000
0.0000000E+00 0.5000000E+00 0.0000000E+00 0.2500000E+00
1 -19.931410004 1.000000
2 -19.356728086 1.000000
3 -18.034661238 1.000000
4 -17.363475713 1.000000
5 -16.593127194 1.000000
6 -13.776224586 1.000000
7 -12.436293855 1.000000
8 -12.035340957 1.000000
9 -11.827294361 1.000000
10 -11.667570548 1.000000
11 -11.282353578 1.000000
12 -9.688904349 1.000000
13 -8.652256037 1.000000
14 -8.247345093 1.000000
15 -8.034948734 1.000000
16 -7.794641257 1.000000
17 -7.658677288 1.000000
18 -6.888155985 1.000000
19 -6.761875192 1.000000
20 -6.738460041 1.000000
21 -6.527701078 1.000000
22 -6.423944328 1.000000
23 -6.291429834 1.000000
24 -6.264815110 1.000000
25 -6.079312285 1.000000
26 -5.905613362 1.000000
27 -5.441593243 1.000040
28 -5.332673371 1.000725
29 -5.196479533 1.010228
30 -4.941273937 0.939239
31 -4.897354101 0.826502
32 -4.847381524 0.646149
33 -4.811465022 0.496687
34 -4.695299803 0.086951
35 -4.649760366 0.006838
36 -4.158293372 -0.000019
37 -3.840908206 -0.000000
38 -3.713352240 -0.000000
39 -3.309949421 -0.000000
40 -2.780535543 -0.000000
41 -2.550219004 -0.000000
42 -2.460474403 -0.000000
43 -2.072554860 -0.000000
44 -1.501535914 -0.000000
45 -1.329812059 -0.000000
46 -0.923161971 -0.000000
47 -0.850331567 -0.000000
0.0000000E+00 0.0000000E+00 0.5000000E+00 0.2500000E+00
1 -19.931415194 1.000000
2 -19.356697207 1.000000
3 -18.034662946 1.000000
4 -17.363483884 1.000000
5 -16.593123445 1.000000
6 -13.776181928 1.000000
7 -12.436303639 1.000000
8 -12.036233731 1.000000
9 -11.826544901 1.000000
10 -11.667390341 1.000000
11 -11.282367132 1.000000
12 -9.688845430 1.000000
13 -8.651763702 1.000000
14 -8.246854877 1.000000
15 -8.034556909 1.000000
16 -7.794664272 1.000000
17 -7.660157447 1.000000
18 -6.890266607 1.000000
19 -6.776429038 1.000000
20 -6.728631971 1.000000
21 -6.516859632 1.000000
22 -6.424090706 1.000000
23 -6.294608039 1.000000
24 -6.259797885 1.000000
25 -6.102163475 1.000000
26 -5.883558328 1.000000
27 -5.444573961 1.000037
28 -5.337714809 1.000643
29 -5.200688926 1.009593
30 -4.928957137 0.912494
31 -4.910990801 0.866626
32 -4.850819806 0.659894
33 -4.777973911 0.357310
34 -4.730241955 0.183234
35 -4.641133299 -0.002930
36 -4.137638865 -0.000010
37 -3.829891798 -0.000000
38 -3.735043956 -0.000000
39 -3.303021307 -0.000000
40 -2.800295859 -0.000000
41 -2.543103286 -0.000000
42 -2.459623280 -0.000000
43 -2.075080219 -0.000000
44 -1.506377112 -0.000000
45 -1.342130091 -0.000000
46 -0.922042695 -0.000000
47 -0.854881421 -0.000000
0.0000000E+00 0.5000000E+00 0.5000000E+00 0.2500000E+00
1 -19.931310713 1.000000
2 -19.356650638 1.000000
3 -18.034664027 1.000000
4 -17.363430559 1.000000
5 -16.593111302 1.000000
6 -13.776175100 1.000000
7 -12.436260719 1.000000
8 -12.035317360 1.000000
9 -11.827291478 1.000000
10 -11.667539941 1.000000
11 -11.282324004 1.000000
12 -9.688858884 1.000000
13 -8.652244727 1.000000
14 -8.247277403 1.000000
15 -8.034851147 1.000000
16 -7.794519141 1.000000
17 -7.658550203 1.000000
18 -6.887999114 1.000000
19 -6.761916765 1.000000
20 -6.737892870 1.000000
21 -6.527660147 1.000000
22 -6.424118658 1.000000
23 -6.293813267 1.000000
24 -6.263843680 1.000000
25 -6.079343385 1.000000
26 -5.904016924 1.000000
27 -5.441168048 1.000041
28 -5.332791471 1.000723
29 -5.196420487 1.010237
30 -4.940775120 0.938230
31 -4.897173316 0.825940
32 -4.847290163 0.645782
33 -4.811321378 0.496080
34 -4.696300334 0.089285
35 -4.648975311 0.005884
36 -4.155178861 -0.000017
37 -3.840794797 -0.000000
38 -3.714032452 -0.000000
39 -3.309214419 -0.000000
40 -2.782026502 -0.000000
41 -2.552656318 -0.000000
42 -2.461503990 -0.000000
43 -2.072346446 -0.000000
44 -1.501455537 -0.000000
45 -1.344714715 -0.000000
46 -0.923396308 -0.000000
47 -0.834840313 -0.000000