./iterations/neb1_max2_image01_iter94_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 -19.796327050 1.000000
2 -16.563266236 1.000000
3 -16.373061670 1.000000
4 -16.354435799 1.000000
5 -13.020599741 1.000000
6 -11.759817142 1.000000
7 -11.658047588 1.000000
8 -11.641827880 1.000000
9 -11.582661918 1.000000
10 -11.025968720 1.000000
11 -7.256309066 1.000000
12 -7.153452612 1.000000
13 -6.756752752 1.000000
14 -6.558446318 1.000000
15 -6.441158596 1.000000
16 -6.342231231 1.000000
17 -5.998040829 1.000000
18 -5.664936538 1.000000
19 -5.544583578 1.000011
20 -5.362537737 1.001432
21 -5.289930407 1.005936
22 -5.239889466 1.012989
23 -5.182698959 1.025253
24 -5.086167897 1.030954
25 -5.054229869 1.013154
26 -5.030592787 0.988024
27 -4.994350777 0.924883
28 -4.982066852 0.896097
29 -4.938569153 0.764586
30 -4.912878946 0.668424
31 -4.901467150 0.622570
32 -4.887862107 0.566242
33 -4.859413156 0.446211
34 -4.850797324 0.410202
35 -4.823883992 0.302201
36 -4.814727645 0.267760
37 -4.773303392 0.133076
38 -4.753489969 0.083006
39 -4.654402579 -0.032055
40 -4.618545964 -0.035186
41 -4.521047085 -0.016198
42 -4.421423389 -0.003240
43 -4.339020970 -0.000535
44 -4.262061240 -0.000070
45 -4.180440031 -0.000006
46 -4.020392796 -0.000000
47 -3.966507696 -0.000000
0.0000000E+00 0.5000000E+00 0.0000000E+00 0.2500000E+00
1 -19.796207664 1.000000
2 -16.563239728 1.000000
3 -16.373044016 1.000000
4 -16.354421418 1.000000
5 -13.020551762 1.000000
6 -11.759817499 1.000000
7 -11.658386412 1.000000
8 -11.641443935 1.000000
9 -11.582673915 1.000000
10 -11.025964688 1.000000
11 -7.257152480 1.000000
12 -7.153687075 1.000000
13 -6.756324341 1.000000
14 -6.557428497 1.000000
15 -6.443015744 1.000000
16 -6.340082631 1.000000
17 -6.001342371 1.000000
18 -5.659791157 1.000000
19 -5.555416432 1.000008
20 -5.346816757 1.002001
21 -5.312719083 1.003934
22 -5.217572815 1.017383
23 -5.164764453 1.029263
24 -5.087610657 1.031400
25 -5.072093840 1.025096
26 -5.020598541 0.973756
27 -5.009624288 0.955381
28 -4.948983598 0.800027
29 -4.920989004 0.699966
30 -4.912554909 0.667144
31 -4.901096621 0.621057
32 -4.875452099 0.513955
33 -4.867883078 0.481934
34 -4.855537547 0.429959
35 -4.836788723 0.352921
36 -4.813474822 0.263161
37 -4.772372040 0.130502
38 -4.758302882 0.094260
39 -4.672516744 -0.024938
40 -4.633503862 -0.035298
41 -4.541603083 -0.020648
42 -4.415319771 -0.002875
43 -4.339933503 -0.000547
44 -4.259187387 -0.000065
45 -4.176467690 -0.000005
46 -4.022240531 -0.000000
47 -3.968669496 -0.000000
0.0000000E+00 0.0000000E+00 0.5000000E+00 0.2500000E+00
1 -19.796204045 1.000000
2 -16.563241500 1.000000
3 -16.373043207 1.000000
4 -16.354417829 1.000000
5 -13.020554464 1.000000
6 -11.759618951 1.000000
7 -11.658234682 1.000000
8 -11.641866167 1.000000
9 -11.582644645 1.000000
10 -11.025975779 1.000000
11 -7.256159864 1.000000
12 -7.153538304 1.000000
13 -6.756427956 1.000000
14 -6.558158323 1.000000
15 -6.441095009 1.000000
16 -6.341602118 1.000000
17 -5.997764024 1.000000
18 -5.666616957 1.000000
19 -5.544983201 1.000011
20 -5.363318684 1.001407
21 -5.290673327 1.005860
22 -5.217346146 1.017431
23 -5.156808388 1.030891
24 -5.128440426 1.035000
25 -5.083466340 1.030045
26 -5.034568884 0.993073
27 -4.986081385 0.905924
28 -4.956018287 0.822629
29 -4.941955145 0.776358
30 -4.931705884 0.740028
31 -4.907731214 0.647932
32 -4.887633218 0.565283
33 -4.856893454 0.435636
34 -4.838456636 0.359635
35 -4.825303652 0.307664
36 -4.792820194 0.191801
37 -4.771214571 0.127334
38 -4.754218832 0.084673
39 -4.652275847 -0.032605
40 -4.619419845 -0.035236
41 -4.525806389 -0.017186
42 -4.422673439 -0.003319
43 -4.341840368 -0.000573
44 -4.262637903 -0.000071
45 -4.181453972 -0.000006
46 -4.023196257 -0.000000
47 -3.977436502 -0.000000
0.0000000E+00 0.5000000E+00 0.5000000E+00 0.2500000E+00
1 -19.796108851 1.000000
2 -16.563222151 1.000000
3 -16.373028824 1.000000
4 -16.354407038 1.000000
5 -13.020518282 1.000000
6 -11.759620262 1.000000
7 -11.658575125 1.000000
8 -11.641469373 1.000000
9 -11.582667382 1.000000
10 -11.025970481 1.000000
11 -7.256958063 1.000000
12 -7.153737477 1.000000
13 -6.755998513 1.000000
14 -6.557129177 1.000000
15 -6.442947805 1.000000
16 -6.339623484 1.000000
17 -6.001148850 1.000000
18 -5.661152421 1.000000
19 -5.555877342 1.000007
20 -5.343098282 1.002162
21 -5.311600566 1.004017
22 -5.187048896 1.024247
23 -5.161628626 1.029920
24 -5.132717422 1.034615
25 -5.083286102 1.029981
26 -5.041733744 1.001307
27 -4.969462138 0.862617
28 -4.952967169 0.812963
29 -4.926774122 0.721838
30 -4.918557071 0.690610
31 -4.902532570 0.626914
32 -4.880127548 0.533711
33 -4.860177667 0.449425
34 -4.850220666 0.407809
35 -4.831127921 0.330390
36 -4.807884999 0.242997
37 -4.765121978 0.111206
38 -4.758782305 0.095413
39 -4.670619874 -0.025905
40 -4.633839316 -0.035280
41 -4.545279321 -0.021484
42 -4.415612537 -0.002892
43 -4.342815416 -0.000587
44 -4.259507706 -0.000065
45 -4.177283109 -0.000005
46 -4.026702154 -0.000000
47 -3.965013781 -0.000000