./iterations/neb1_max2_image01_iter16_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 -25.117661636 1.000000
2 -20.339253336 1.000000
3 -20.012552808 1.000000
4 -19.344724923 1.000000
5 -14.074192263 1.000000
6 -13.167785375 1.000000
7 -12.589857078 1.000000
8 -12.553524733 1.000000
9 -12.446068576 1.000000
10 -11.530932981 1.000000
11 -11.064317239 1.000000
12 -10.765834762 1.000000
13 -9.562511149 1.000000
14 -9.325112302 1.000000
15 -9.209566023 1.000000
16 -8.782976165 1.000000
17 -8.711823272 1.000000
18 -8.387463731 1.000000
19 -8.222090391 1.000000
20 -8.125248160 1.000000
21 -7.852240837 1.000000
22 -7.705541971 1.000000
23 -7.579016899 1.000000
24 -7.482877175 1.000000
25 -7.217150328 1.000000
26 -7.056964563 1.000000
27 -7.003926323 1.000000
28 -6.874134590 1.000000
29 -6.714045279 1.000000
30 -5.999872741 1.000000
31 -5.213216694 1.012213
32 -4.999519574 0.988002
33 -0.644560020 -0.000000
34 -0.398242827 -0.000000
35 -0.118531491 -0.000000
36 0.127945997 -0.000000
37 0.305129810 -0.000000
38 0.391525757 -0.000000
39 0.540933604 0.000000
40 0.598689749 0.000000
41 0.703150979 0.000000
42 0.784311041 0.000000
43 0.919802052 0.000000
44 0.976720821 0.000000
45 1.046815673 0.000000
46 1.123649273 0.000000
47 1.221534836 0.000000
0.0000000E+00 0.5000000E+00 0.0000000E+00 0.2500000E+00
1 -25.117502532 1.000000
2 -20.339223399 1.000000
3 -20.012527895 1.000000
4 -19.344702339 1.000000
5 -14.074098727 1.000000
6 -13.167774651 1.000000
7 -12.589813219 1.000000
8 -12.553505845 1.000000
9 -12.445951433 1.000000
10 -11.530752587 1.000000
11 -11.064206128 1.000000
12 -10.765651170 1.000000
13 -9.562264347 1.000000
14 -9.325011091 1.000000
15 -9.209455817 1.000000
16 -8.782906199 1.000000
17 -8.711747513 1.000000
18 -8.387419953 1.000000
19 -8.221920074 1.000000
20 -8.125176429 1.000000
21 -7.852263531 1.000000
22 -7.705498853 1.000000
23 -7.578944414 1.000000
24 -7.482669623 1.000000
25 -7.217068538 1.000000
26 -7.056925111 1.000000
27 -7.003868614 1.000000
28 -6.874034276 1.000000
29 -6.713988407 1.000000
30 -5.999685377 1.000000
31 -5.212846435 1.012278
32 -4.999439058 0.987896
33 -0.652917802 -0.000000
34 -0.331014522 -0.000000
35 -0.073551066 -0.000000
36 0.128311863 -0.000000
37 0.235163658 -0.000000
38 0.444789382 -0.000000
39 0.509678848 0.000000
40 0.671274420 0.000000
41 0.784864284 0.000000
42 0.802732389 0.000000
43 0.837602862 0.000000
44 0.944872814 0.000000
45 0.956469363 0.000000
46 1.046837881 0.000000
47 1.222447884 0.000000
0.0000000E+00 0.0000000E+00 0.5000000E+00 0.2500000E+00
1 -25.117552595 1.000000
2 -20.339226997 1.000000
3 -20.012495684 1.000000
4 -19.344709605 1.000000
5 -14.074029274 1.000000
6 -13.167753574 1.000000
7 -12.589791442 1.000000
8 -12.553509717 1.000000
9 -12.445959521 1.000000
10 -11.530869239 1.000000
11 -11.064208405 1.000000
12 -10.765738747 1.000000
13 -9.562353531 1.000000
14 -9.325059371 1.000000
15 -9.209505502 1.000000
16 -8.782844972 1.000000
17 -8.711664993 1.000000
18 -8.387389182 1.000000
19 -8.222043980 1.000000
20 -8.125178960 1.000000
21 -7.852182662 1.000000
22 -7.705514128 1.000000
23 -7.578963976 1.000000
24 -7.482719248 1.000000
25 -7.217027699 1.000000
26 -7.057052391 1.000000
27 -7.003971290 1.000000
28 -6.874277951 1.000000
29 -6.713879293 1.000000
30 -5.999395090 1.000000
31 -5.212789838 1.012287
32 -4.999170357 0.987541
33 -0.652657179 -0.000000
34 -0.404853481 -0.000000
35 -0.011804215 -0.000000
36 0.143698212 -0.000000
37 0.292459328 -0.000000
38 0.428813342 -0.000000
39 0.488765617 0.000000
40 0.609694000 0.000000
41 0.669421280 0.000000
42 0.767104651 0.000000
43 0.852722490 0.000000
44 1.029632830 0.000000
45 1.075465776 0.000000
46 1.085911998 0.000000
47 1.191359533 0.000000
0.0000000E+00 0.5000000E+00 0.5000000E+00 0.2500000E+00
1 -25.117444336 1.000000
2 -20.339206019 1.000000
3 -20.012497423 1.000000
4 -19.344650803 1.000000
5 -14.073987144 1.000000
6 -13.167714943 1.000000
7 -12.589733356 1.000000
8 -12.553471611 1.000000
9 -12.445918363 1.000000
10 -11.530679949 1.000000
11 -11.064102228 1.000000
12 -10.765518670 1.000000
13 -9.562211224 1.000000
14 -9.324950269 1.000000
15 -9.209390047 1.000000
16 -8.782768874 1.000000
17 -8.711571585 1.000000
18 -8.387351795 1.000000
19 -8.221872638 1.000000
20 -8.125144624 1.000000
21 -7.852186286 1.000000
22 -7.705478918 1.000000
23 -7.578948161 1.000000
24 -7.482621457 1.000000
25 -7.216959477 1.000000
26 -7.057063021 1.000000
27 -7.003896994 1.000000
28 -6.874183353 1.000000
29 -6.713812785 1.000000
30 -5.999443794 1.000000
31 -5.212580180 1.012324
32 -4.999107900 0.987459
33 -0.659618008 -0.000000
34 -0.350783153 -0.000000
35 0.041332986 -0.000000
36 0.146376103 -0.000000
37 0.297791695 -0.000000
38 0.433040701 -0.000000
39 0.506614261 0.000000
40 0.588328140 0.000000
41 0.724109089 0.000000
42 0.826784492 0.000000
43 0.862284745 0.000000
44 0.949158992 0.000000
45 0.957473220 0.000000
46 1.037895063 0.000000
47 1.100037043 0.000000