./iterations/neb0_image04_iter19_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 -24.552008964 1.000000
2 -20.286163172 1.000000
3 -20.159928955 1.000000
4 -19.551192709 1.000000
5 -13.559933341 1.000000
6 -13.026872599 1.000000
7 -12.711828337 1.000000
8 -12.652106857 1.000000
9 -12.198934439 1.000000
10 -11.315154455 1.000000
11 -11.154444679 1.000000
12 -10.783039183 1.000000
13 -9.378855061 1.000000
14 -9.279856300 1.000000
15 -9.106698607 1.000000
16 -8.861716451 1.000000
17 -8.764688613 1.000000
18 -8.372349330 1.000000
19 -8.228882758 1.000000
20 -7.982978843 1.000000
21 -7.832095887 1.000000
22 -7.654945585 1.000000
23 -7.441547340 1.000000
24 -7.285360319 1.000000
25 -7.264810910 1.000000
26 -7.217220221 1.000000
27 -7.136853716 1.000000
28 -6.944459578 1.000000
29 -6.932414557 1.000000
30 -5.846366659 1.000000
31 -5.412095369 1.012045
32 -5.197546504 0.988164
33 -0.606598317 -0.000000
34 -0.336622361 -0.000000
35 -0.072339680 -0.000000
36 0.074487955 -0.000000
37 0.214671979 -0.000000
38 0.418169946 0.000000
39 0.506858867 0.000000
40 0.677266495 0.000000
41 0.710006349 0.000000
42 0.780518682 0.000000
43 0.892164269 0.000000
44 0.921309482 0.000000
45 1.038296914 0.000000
46 1.123182092 0.000000
47 1.200315099 0.000000
0.0000000E+00 0.5000000E+00 0.0000000E+00 0.2500000E+00
1 -24.551884909 1.000000
2 -20.286129120 1.000000
3 -20.159901370 1.000000
4 -19.551179722 1.000000
5 -13.559862764 1.000000
6 -13.026849983 1.000000
7 -12.711799816 1.000000
8 -12.652084954 1.000000
9 -12.198824264 1.000000
10 -11.314958223 1.000000
11 -11.154191325 1.000000
12 -10.782883026 1.000000
13 -9.378750693 1.000000
14 -9.279761800 1.000000
15 -9.106626069 1.000000
16 -8.861652604 1.000000
17 -8.764514066 1.000000
18 -8.372275876 1.000000
19 -8.228821971 1.000000
20 -7.982951027 1.000000
21 -7.832220232 1.000000
22 -7.654974498 1.000000
23 -7.441306853 1.000000
24 -7.285231329 1.000000
25 -7.264547646 1.000000
26 -7.217215755 1.000000
27 -7.136751117 1.000000
28 -6.944346973 1.000000
29 -6.932408567 1.000000
30 -5.846203192 1.000000
31 -5.411758218 1.012103
32 -5.197389238 0.987958
33 -0.614327497 -0.000000
34 -0.255421163 -0.000000
35 -0.049511946 -0.000000
36 0.107765542 -0.000000
37 0.153906788 -0.000000
38 0.449596160 0.000000
39 0.494363660 0.000000
40 0.697455993 0.000000
41 0.772027564 0.000000
42 0.800036367 0.000000
43 0.870626660 0.000000
44 0.904221693 0.000000
45 0.972368574 0.000000
46 1.023294021 0.000000
47 1.135979513 0.000000
0.0000000E+00 0.0000000E+00 0.5000000E+00 0.2500000E+00
1 -24.551927770 1.000000
2 -20.286106728 1.000000
3 -20.159899643 1.000000
4 -19.551180726 1.000000
5 -13.559801922 1.000000
6 -13.026839563 1.000000
7 -12.711817016 1.000000
8 -12.652052262 1.000000
9 -12.198837563 1.000000
10 -11.315031552 1.000000
11 -11.154283484 1.000000
12 -10.782936980 1.000000
13 -9.378761684 1.000000
14 -9.279809310 1.000000
15 -9.106622875 1.000000
16 -8.861549271 1.000000
17 -8.764542661 1.000000
18 -8.372300201 1.000000
19 -8.228831541 1.000000
20 -7.982894175 1.000000
21 -7.831995713 1.000000
22 -7.654962917 1.000000
23 -7.441454226 1.000000
24 -7.285290207 1.000000
25 -7.264720545 1.000000
26 -7.217292184 1.000000
27 -7.136937236 1.000000
28 -6.944493912 1.000000
29 -6.932308803 1.000000
30 -5.845927262 1.000000
31 -5.411552111 1.012138
32 -5.197280006 0.987814
33 -0.614921846 -0.000000
34 -0.326501470 -0.000000
35 0.001634349 -0.000000
36 0.109085252 -0.000000
37 0.235171952 -0.000000
38 0.379417072 0.000000
39 0.533448888 0.000000
40 0.583551638 0.000000
41 0.700728934 0.000000
42 0.742302018 0.000000
43 0.859946211 0.000000
44 1.018168225 0.000000
45 1.027823581 0.000000
46 1.130564946 0.000000
47 1.158153543 0.000000
0.0000000E+00 0.5000000E+00 0.5000000E+00 0.2500000E+00
1 -24.551822879 1.000000
2 -20.286103780 1.000000
3 -20.159888120 1.000000
4 -19.551132183 1.000000
5 -13.559760064 1.000000
6 -13.026798044 1.000000
7 -12.711687330 1.000000
8 -12.652054201 1.000000
9 -12.198805361 1.000000
10 -11.314849772 1.000000
11 -11.154108308 1.000000
12 -10.782710014 1.000000
13 -9.378660344 1.000000
14 -9.279654655 1.000000
15 -9.106563988 1.000000
16 -8.861467669 1.000000
17 -8.764496534 1.000000
18 -8.372234873 1.000000
19 -8.228665892 1.000000
20 -7.982858801 1.000000
21 -7.832189343 1.000000
22 -7.654979564 1.000000
23 -7.441296578 1.000000
24 -7.285145574 1.000000
25 -7.264547207 1.000000
26 -7.217254334 1.000000
27 -7.136922171 1.000000
28 -6.944425815 1.000000
29 -6.932319929 1.000000
30 -5.845937021 1.000000
31 -5.411430819 1.012159
32 -5.197132586 0.987619
33 -0.621210858 -0.000000
34 -0.260588520 -0.000000
35 0.011562376 -0.000000
36 0.167682033 -0.000000
37 0.207243308 -0.000000
38 0.425461546 0.000000
39 0.505444575 0.000000
40 0.595936114 0.000000
41 0.724598904 0.000000
42 0.810392081 0.000000
43 0.870980763 0.000000
44 0.937323667 0.000000
45 1.007038940 0.000000
46 1.019920818 0.000000
47 1.070110363 0.000000