./neb1_max2_image01_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 -19.787128263 1.000000
2 -16.566558669 1.000000
3 -16.372407143 1.000000
4 -16.353733771 1.000000
5 -13.015966826 1.000000
6 -11.758246383 1.000000
7 -11.651722085 1.000000
8 -11.628419837 1.000000
9 -11.582809819 1.000000
10 -11.022183478 1.000000
11 -7.260560982 1.000000
12 -7.156912683 1.000000
13 -6.714860096 1.000000
14 -6.559987123 1.000000
15 -6.438986968 1.000000
16 -6.342870530 1.000000
17 -5.993988971 1.000000
18 -5.669811925 1.000000
19 -5.549961719 1.000009
20 -5.369180058 1.001220
21 -5.295857292 1.005291
22 -5.237940826 1.013228
23 -5.179044699 1.025947
24 -5.083027734 1.030115
25 -5.052512048 1.012249
26 -5.025965630 0.982601
27 -4.992203713 0.921548
28 -4.980435530 0.893598
29 -4.937730288 0.763874
30 -4.913568346 0.673645
31 -4.900268259 0.620272
32 -4.887719591 0.568308
33 -4.859113544 0.447625
34 -4.850123000 0.410043
35 -4.825250107 0.309915
36 -4.814013056 0.267471
37 -4.773271970 0.134758
38 -4.753182724 0.083757
39 -4.653879806 -0.032024
40 -4.618413639 -0.035216
41 -4.525728964 -0.017304
42 -4.424177444 -0.003459
43 -4.337777252 -0.000527
44 -4.260310242 -0.000068
45 -4.180560994 -0.000006
46 -4.028076032 -0.000000
47 -3.958228059 -0.000000
0.0000000E+00 0.5000000E+00 0.0000000E+00 0.2500000E+00
1 -19.787008354 1.000000
2 -16.566532248 1.000000
3 -16.372389440 1.000000
4 -16.353719183 1.000000
5 -13.015919071 1.000000
6 -11.758243577 1.000000
7 -11.651956956 1.000000
8 -11.628144709 1.000000
9 -11.582820212 1.000000
10 -11.022179987 1.000000
11 -7.261412835 1.000000
12 -7.157124022 1.000000
13 -6.714558071 1.000000
14 -6.558827983 1.000000
15 -6.440864183 1.000000
16 -6.340686371 1.000000
17 -5.997298185 1.000000
18 -5.664581431 1.000000
19 -5.560013540 1.000006
20 -5.353851356 1.001703
21 -5.318032951 1.003514
22 -5.215920745 1.017598
23 -5.164068599 1.029276
24 -5.084367297 1.030574
25 -5.067362284 1.022835
26 -5.017165536 0.969347
27 -5.006457151 0.950728
28 -4.949293196 0.803130
29 -4.919726880 0.697567
30 -4.912531753 0.669564
31 -4.901257899 0.624312
32 -4.874506070 0.512644
33 -4.867543181 0.483187
34 -4.855870350 0.434015
35 -4.836393556 0.353890
36 -4.812722407 0.262735
37 -4.772273822 0.131986
38 -4.757833499 0.094661
39 -4.672767089 -0.024467
40 -4.633016553 -0.035291
41 -4.545907185 -0.021774
42 -4.418552044 -0.003102
43 -4.338571155 -0.000538
44 -4.257510974 -0.000063
45 -4.176490559 -0.000005
46 -4.029880051 -0.000000
47 -3.962853004 -0.000000
0.0000000E+00 0.0000000E+00 0.5000000E+00 0.2500000E+00
1 -19.787004643 1.000000
2 -16.566533877 1.000000
3 -16.372388686 1.000000
4 -16.353715778 1.000000
5 -13.015921683 1.000000
6 -11.758053506 1.000000
7 -11.651927792 1.000000
8 -11.628443054 1.000000
9 -11.582784599 1.000000
10 -11.022189065 1.000000
11 -7.260404385 1.000000
12 -7.156992581 1.000000
13 -6.714517366 1.000000
14 -6.559746111 1.000000
15 -6.438925230 1.000000
16 -6.342247054 1.000000
17 -5.993714978 1.000000
18 -5.671430107 1.000000
19 -5.550392652 1.000009
20 -5.369872686 1.001201
21 -5.296686574 1.005213
22 -5.215900046 1.017603
23 -5.152487673 1.031593
24 -5.123882612 1.035256
25 -5.080731225 1.029271
26 -5.032839113 0.991719
27 -4.985219790 0.905383
28 -4.953646661 0.817157
29 -4.941298422 0.776287
30 -4.931540899 0.741743
31 -4.907226218 0.648458
32 -4.886357180 0.562601
33 -4.856288818 0.435768
34 -4.837770351 0.359433
35 -4.827003430 0.316720
36 -4.792080884 0.191468
37 -4.770687399 0.127631
38 -4.754537755 0.086877
39 -4.651754783 -0.032576
40 -4.619339788 -0.035266
41 -4.530692823 -0.018368
42 -4.425491323 -0.003547
43 -4.340589475 -0.000565
44 -4.260891241 -0.000069
45 -4.181541358 -0.000006
46 -4.031306275 -0.000000
47 -3.970316728 -0.000000
0.0000000E+00 0.5000000E+00 0.5000000E+00 0.2500000E+00
1 -19.786909431 1.000000
2 -16.566514759 1.000000
3 -16.372374258 1.000000
4 -16.353704805 1.000000
5 -13.015885671 1.000000
6 -11.758051746 1.000000
7 -11.652167313 1.000000
8 -11.628147437 1.000000
9 -11.582810356 1.000000
10 -11.022184227 1.000000
11 -7.261215002 1.000000
12 -7.157171415 1.000000
13 -6.714205614 1.000000
14 -6.558584513 1.000000
15 -6.440799631 1.000000
16 -6.340229312 1.000000
17 -5.997106550 1.000000
18 -5.665890413 1.000000
19 -5.560480810 1.000006
20 -5.350660910 1.001822
21 -5.317409372 1.003556
22 -5.183388503 1.024947
23 -5.161071675 1.029904
24 -5.128252698 1.034964
25 -5.080756721 1.029281
26 -5.038838813 0.998829
27 -4.966501277 0.856013
28 -4.953256174 0.815917
29 -4.925203576 0.718344
30 -4.917953133 0.690735
31 -4.902276302 0.628460
32 -4.879726306 0.534702
33 -4.860066525 0.451634
34 -4.850550545 0.411819
35 -4.830346626 0.329818
36 -4.807090442 0.242435
37 -4.764772812 0.111945
38 -4.758435359 0.096112
39 -4.670945789 -0.025421
40 -4.633392048 -0.035270
41 -4.549854810 -0.022682
42 -4.418897552 -0.003123
43 -4.341466472 -0.000577
44 -4.257828800 -0.000063
45 -4.177288434 -0.000005
46 -4.034656960 -0.000000
47 -3.956739637 -0.000000