./iterations/neb1_max2_image01_iter63_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 -23.755733843 1.000000
2 -21.334008024 1.000000
3 -19.896719236 1.000000
4 -19.460956868 1.000000
5 -15.954605349 1.000000
6 -14.322842243 1.000000
7 -13.459687073 1.000000
8 -12.368491241 1.000000
9 -11.779923823 1.000000
10 -11.734821273 1.000000
11 -11.388541109 1.000000
12 -10.061621313 1.000000
13 -9.820873862 1.000000
14 -9.185590442 1.000000
15 -8.723573348 1.000000
16 -8.523455029 1.000000
17 -7.543484674 1.000000
18 -7.290313514 1.000000
19 -6.988639343 1.000000
20 -6.759096968 1.000000
21 -6.346500802 1.000000
22 -6.274303467 1.000000
23 -6.038614616 1.000000
24 -5.621363139 1.000000
25 -5.262885304 1.005699
26 -5.230599897 1.009683
27 -5.169458418 1.021527
28 -5.076336630 1.034919
29 -4.929106835 0.830307
30 -4.927599433 0.825644
31 -4.919848418 0.800847
32 -4.881787440 0.661667
33 -4.830362689 0.447615
34 -4.767847059 0.206293
35 -4.746962764 0.141635
36 -4.697737211 0.031649
37 -4.595758087 -0.035442
38 -4.189489496 -0.000019
39 -4.144419629 -0.000005
40 -4.018547798 -0.000000
41 -3.804153502 -0.000000
42 -3.614327032 -0.000000
43 -3.483068457 -0.000000
44 -3.015542070 -0.000000
45 -2.624432343 -0.000000
46 -2.408529333 -0.000000
47 -2.146717990 -0.000000
0.0000000E+00 0.5000000E+00 0.0000000E+00 0.2500000E+00
1 -23.755174780 1.000000
2 -21.333935463 1.000000
3 -19.896592721 1.000000
4 -19.460958197 1.000000
5 -15.954501197 1.000000
6 -14.322719009 1.000000
7 -13.459666013 1.000000
8 -12.368407866 1.000000
9 -11.781869675 1.000000
10 -11.732863830 1.000000
11 -11.388509905 1.000000
12 -10.061642348 1.000000
13 -9.820771111 1.000000
14 -9.186092245 1.000000
15 -8.722878512 1.000000
16 -8.522664343 1.000000
17 -7.543469700 1.000000
18 -7.290752158 1.000000
19 -6.987942350 1.000000
20 -6.755787081 1.000000
21 -6.344743455 1.000000
22 -6.273057838 1.000000
23 -6.059971373 1.000000
24 -5.625164577 1.000000
25 -5.266004968 1.005395
26 -5.252001086 1.006867
27 -5.080912682 1.035271
28 -5.069684878 1.034046
29 -4.928895182 0.829655
30 -4.927973340 0.826806
31 -4.923304066 0.812070
32 -4.888038439 0.686217
33 -4.826496320 0.431395
34 -4.770573130 0.215460
35 -4.755402027 0.166539
36 -4.701571408 0.038053
37 -4.624814548 -0.032110
38 -4.189624847 -0.000020
39 -4.144449496 -0.000005
40 -4.022311578 -0.000000
41 -3.815855030 -0.000000
42 -3.616473952 -0.000000
43 -3.464022793 -0.000000
44 -3.019401361 -0.000000
45 -2.619934169 -0.000000
46 -2.410147195 -0.000000
47 -2.147029160 -0.000000
0.0000000E+00 0.0000000E+00 0.5000000E+00 0.2500000E+00
1 -23.755124383 1.000000
2 -21.333938803 1.000000
3 -19.896590354 1.000000
4 -19.460944091 1.000000
5 -15.954513886 1.000000
6 -14.322720981 1.000000
7 -13.459659103 1.000000
8 -12.368490957 1.000000
9 -11.779948789 1.000000
10 -11.734817585 1.000000
11 -11.388540925 1.000000
12 -10.061510580 1.000000
13 -9.820755367 1.000000
14 -9.185411266 1.000000
15 -8.723541632 1.000000
16 -8.523345163 1.000000
17 -7.543464108 1.000000
18 -7.290244733 1.000000
19 -6.988307375 1.000000
20 -6.759012901 1.000000
21 -6.346672873 1.000000
22 -6.274155479 1.000000
23 -6.038076751 1.000000
24 -5.621213634 1.000000
25 -5.262365562 1.005751
26 -5.234061715 1.009179
27 -5.166466892 1.022213
28 -5.079765192 1.035201
29 -4.931049094 0.836236
30 -4.926474979 0.822132
31 -4.922058801 0.808057
32 -4.881116156 0.658999
33 -4.822215477 0.413537
34 -4.764694830 0.195894
35 -4.749327932 0.148442
36 -4.695740195 0.028453
37 -4.592994490 -0.035371
38 -4.189810288 -0.000020
39 -4.150469744 -0.000006
40 -4.019425571 -0.000000
41 -3.805161917 -0.000000
42 -3.613446495 -0.000000
43 -3.482796190 -0.000000
44 -3.014582677 -0.000000
45 -2.621653525 -0.000000
46 -2.408982537 -0.000000
47 -2.146573142 -0.000000
0.0000000E+00 0.5000000E+00 0.5000000E+00 0.2500000E+00
1 -23.754732138 1.000000
2 -21.333913464 1.000000
3 -19.896498825 1.000000
4 -19.460910166 1.000000
5 -15.954427342 1.000000
6 -14.322645331 1.000000
7 -13.459635708 1.000000
8 -12.368357740 1.000000
9 -11.781767443 1.000000
10 -11.732838215 1.000000
11 -11.388509738 1.000000
12 -10.061520153 1.000000
13 -9.820679049 1.000000
14 -9.185965639 1.000000
15 -8.722804133 1.000000
16 -8.522509477 1.000000
17 -7.543366402 1.000000
18 -7.290695271 1.000000
19 -6.987776622 1.000000
20 -6.755833167 1.000000
21 -6.344880921 1.000000
22 -6.272821479 1.000000
23 -6.059730333 1.000000
24 -5.625150476 1.000000
25 -5.278644129 1.004293
26 -5.242781495 1.007993
27 -5.080490825 1.035247
28 -5.070584417 1.034191
29 -4.929558122 0.831693
30 -4.926468809 0.822112
31 -4.924043688 0.814438
32 -4.883664001 0.669094
33 -4.826076776 0.429640
34 -4.762424051 0.188539
35 -4.754587849 0.164063
36 -4.705312719 0.044645
37 -4.624171578 -0.032280
38 -4.189311152 -0.000019
39 -4.151598967 -0.000006
40 -4.023874724 -0.000000
41 -3.816550580 -0.000000
42 -3.615134859 -0.000000
43 -3.462737871 -0.000000
44 -3.018723801 -0.000000
45 -2.617291280 -0.000000
46 -2.410610938 -0.000000
47 -2.147086877 -0.000000