./iterations/neb1_max2_image01_iter13_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 -25.080553793 1.000000
2 -20.331950223 1.000000
3 -20.037938282 1.000000
4 -19.354753673 1.000000
5 -14.061253013 1.000000
6 -13.166267990 1.000000
7 -12.596982162 1.000000
8 -12.546110546 1.000000
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10 -11.530588659 1.000000
11 -11.062061614 1.000000
12 -10.766017692 1.000000
13 -9.570486046 1.000000
14 -9.331867885 1.000000
15 -9.218527657 1.000000
16 -8.781648866 1.000000
17 -8.708826868 1.000000
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21 -7.858206503 1.000000
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23 -7.586123438 1.000000
24 -7.488787291 1.000000
25 -7.204253614 1.000000
26 -7.045121275 1.000000
27 -6.997607753 1.000000
28 -6.864171778 1.000000
29 -6.710538478 1.000000
30 -6.003418906 1.000000
31 -5.223653903 1.011747
32 -5.007588937 0.988461
33 -0.649043918 -0.000000
34 -0.403878274 -0.000000
35 -0.118049278 -0.000000
36 0.135760296 -0.000000
37 0.301485919 -0.000000
38 0.391748170 -0.000000
39 0.539954933 0.000000
40 0.592196616 0.000000
41 0.702124325 0.000000
42 0.790714429 0.000000
43 0.919765259 0.000000
44 0.973542209 0.000000
45 1.049486384 0.000000
46 1.127681603 0.000000
47 1.219951305 0.000000
0.0000000E+00 0.5000000E+00 0.0000000E+00 0.2500000E+00
1 -25.080397727 1.000000
2 -20.331921094 1.000000
3 -20.037911513 1.000000
4 -19.354731522 1.000000
5 -14.061161940 1.000000
6 -13.166257402 1.000000
7 -12.596937347 1.000000
8 -12.546093932 1.000000
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12 -10.765828640 1.000000
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14 -9.331776666 1.000000
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18 -8.385794094 1.000000
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20 -8.118099452 1.000000
21 -7.858225252 1.000000
22 -7.718143576 1.000000
23 -7.586035828 1.000000
24 -7.488573251 1.000000
25 -7.204170451 1.000000
26 -7.045085507 1.000000
27 -6.997544909 1.000000
28 -6.864069530 1.000000
29 -6.710473603 1.000000
30 -6.003230882 1.000000
31 -5.223290806 1.011809
32 -5.007498167 0.988342
33 -0.657418431 -0.000000
34 -0.337155717 -0.000000
35 -0.072794024 -0.000000
36 0.135908055 -0.000000
37 0.230475575 -0.000000
38 0.445141593 -0.000000
39 0.509442200 0.000000
40 0.669047302 0.000000
41 0.782049730 0.000000
42 0.806810939 0.000000
43 0.833246283 0.000000
44 0.948680267 0.000000
45 0.956550555 0.000000
46 1.046271287 0.000000
47 1.224412441 0.000000
0.0000000E+00 0.0000000E+00 0.5000000E+00 0.2500000E+00
1 -25.080448391 1.000000
2 -20.331924132 1.000000
3 -20.037879555 1.000000
4 -19.354739326 1.000000
5 -14.061092859 1.000000
6 -13.166236468 1.000000
7 -12.596918757 1.000000
8 -12.546096657 1.000000
9 -12.451013235 1.000000
10 -11.530527593 1.000000
11 -11.061951101 1.000000
12 -10.765920213 1.000000
13 -9.570330530 1.000000
14 -9.331813758 1.000000
15 -9.218463863 1.000000
16 -8.781511667 1.000000
17 -8.708670803 1.000000
18 -8.385757853 1.000000
19 -8.213752521 1.000000
20 -8.118093290 1.000000
21 -7.858149598 1.000000
22 -7.718152748 1.000000
23 -7.586065131 1.000000
24 -7.488629005 1.000000
25 -7.204126729 1.000000
26 -7.045205684 1.000000
27 -6.997655097 1.000000
28 -6.864315173 1.000000
29 -6.710375758 1.000000
30 -6.002944365 1.000000
31 -5.223205197 1.011823
32 -5.007258240 0.988027
33 -0.656809119 -0.000000
34 -0.410835187 -0.000000
35 -0.010606790 -0.000000
36 0.150298398 -0.000000
37 0.288494751 -0.000000
38 0.428126827 -0.000000
39 0.489465949 0.000000
40 0.605282001 0.000000
41 0.668401680 0.000000
42 0.767310815 0.000000
43 0.854159343 0.000000
44 1.032795961 0.000000
45 1.075243539 0.000000
46 1.088788505 0.000000
47 1.180275031 0.000000
0.0000000E+00 0.5000000E+00 0.5000000E+00 0.2500000E+00
1 -25.080341325 1.000000
2 -20.331903558 1.000000
3 -20.037881048 1.000000
4 -19.354681313 1.000000
5 -14.061055071 1.000000
6 -13.166197179 1.000000
7 -12.596857870 1.000000
8 -12.546054941 1.000000
9 -12.450976120 1.000000
10 -11.530337626 1.000000
11 -11.061845408 1.000000
12 -10.765697806 1.000000
13 -9.570187140 1.000000
14 -9.331716130 1.000000
15 -9.218351646 1.000000
16 -8.781437528 1.000000
17 -8.708575552 1.000000
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19 -8.213571093 1.000000
20 -8.118072691 1.000000
21 -7.858147391 1.000000
22 -7.718117084 1.000000
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24 -7.488524093 1.000000
25 -7.204060780 1.000000
26 -7.045215438 1.000000
27 -6.997578908 1.000000
28 -6.864220600 1.000000
29 -6.710308038 1.000000
30 -6.002987188 1.000000
31 -5.223007718 1.011857
32 -5.007186965 0.987934
33 -0.663822575 -0.000000
34 -0.357049976 -0.000000
35 0.043174094 -0.000000
36 0.151790147 -0.000000
37 0.292243909 -0.000000
38 0.433335325 -0.000000
39 0.506225107 0.000000
40 0.591390457 0.000000
41 0.717569801 0.000000
42 0.829193341 0.000000
43 0.857877374 0.000000
44 0.949247561 0.000000
45 0.959120170 0.000000
46 1.043321753 0.000000
47 1.099430764 0.000000