./iterations/neb1_max2_image01_iter142_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 -19.744790447 1.000000
2 -16.589854140 1.000000
3 -16.370431948 1.000000
4 -16.346698860 1.000000
5 -12.990140173 1.000000
6 -11.746078595 1.000000
7 -11.643573699 1.000000
8 -11.579856315 1.000000
9 -11.536377187 1.000000
10 -10.987953358 1.000000
11 -7.289099557 1.000000
12 -7.194045975 1.000000
13 -6.579541074 1.000000
14 -6.490514095 1.000000
15 -6.422956364 1.000000
16 -6.346175821 1.000000
17 -5.978610282 1.000000
18 -5.701838570 1.000000
19 -5.582976238 1.000002
20 -5.417311132 1.000342
21 -5.340316978 1.002021
22 -5.221579972 1.015319
23 -5.152290807 1.030591
24 -5.066177254 1.025159
25 -5.044219488 1.009719
26 -4.999499315 0.947787
27 -4.984343219 0.915995
28 -4.965056551 0.867172
29 -4.931186190 0.759841
30 -4.918322195 0.712775
31 -4.892134384 0.609063
32 -4.887168106 0.588530
33 -4.856318644 0.458594
34 -4.843897702 0.406622
35 -4.828818567 0.345180
36 -4.804254168 0.251603
37 -4.770798006 0.143027
38 -4.747762063 0.083711
39 -4.651335943 -0.031194
40 -4.617262184 -0.035401
41 -4.551670254 -0.024351
42 -4.436688692 -0.004830
43 -4.325519305 -0.000446
44 -4.244536781 -0.000050
45 -4.182158588 -0.000007
46 -4.083277350 -0.000000
47 -3.958267629 -0.000000
0.0000000E+00 0.5000000E+00 0.0000000E+00 0.2500000E+00
1 -19.744669546 1.000000
2 -16.589828246 1.000000
3 -16.370414531 1.000000
4 -16.346682962 1.000000
5 -12.990093920 1.000000
6 -11.746067425 1.000000
7 -11.643606196 1.000000
8 -11.579890927 1.000000
9 -11.536290305 1.000000
10 -10.987953661 1.000000
11 -7.289963902 1.000000
12 -7.194246326 1.000000
13 -6.579705543 1.000000
14 -6.488520095 1.000000
15 -6.424960546 1.000000
16 -6.344019159 1.000000
17 -5.981830547 1.000000
18 -5.696297283 1.000000
19 -5.588231060 1.000002
20 -5.407069205 1.000442
21 -5.358239473 1.001378
22 -5.198402790 1.020257
23 -5.155474991 1.029945
24 -5.068413657 1.026278
25 -5.038911683 1.004652
26 -4.994175751 0.937277
27 -4.988340515 0.924941
28 -4.952684083 0.831012
29 -4.915882212 0.703519
30 -4.910254542 0.681813
31 -4.900343965 0.642501
32 -4.868404364 0.509678
33 -4.864182483 0.491815
34 -4.856052454 0.457472
35 -4.827713208 0.340775
36 -4.805390665 0.255707
37 -4.769869105 0.140380
38 -4.750611094 0.090324
39 -4.674083869 -0.020484
40 -4.629630553 -0.035166
41 -4.571652952 -0.028867
42 -4.433583869 -0.004565
43 -4.325614670 -0.000447
44 -4.241644533 -0.000046
45 -4.176883076 -0.000006
46 -4.085946041 -0.000000
47 -3.967716931 -0.000000
0.0000000E+00 0.0000000E+00 0.5000000E+00 0.2500000E+00
1 -19.744667099 1.000000
2 -16.589828902 1.000000
3 -16.370413721 1.000000
4 -16.346680749 1.000000
5 -12.990095825 1.000000
6 -11.745904520 1.000000
7 -11.643738788 1.000000
8 -11.579895325 1.000000
9 -11.536363341 1.000000
10 -10.987948748 1.000000
11 -7.288914612 1.000000
12 -7.194107189 1.000000
13 -6.579000932 1.000000
14 -6.490601050 1.000000
15 -6.422915517 1.000000
16 -6.345677322 1.000000
17 -5.978391123 1.000000
18 -5.702828575 1.000000
19 -5.583498317 1.000002
20 -5.417868716 1.000337
21 -5.340865639 1.001998
22 -5.201989723 1.019455
23 -5.125325962 1.034748
24 -5.096190835 1.034516
25 -5.064224300 1.024117
26 -5.021188243 0.983471
27 -4.978846933 0.903035
28 -4.947195790 0.813812
29 -4.937193138 0.780728
30 -4.928961882 0.751923
31 -4.904190627 0.657911
32 -4.875597930 0.540068
33 -4.850374889 0.433617
34 -4.836440142 0.375947
35 -4.826141167 0.334538
36 -4.785583141 0.187933
37 -4.766075948 0.129790
38 -4.752406388 0.094597
39 -4.649379494 -0.031774
40 -4.618584065 -0.035433
41 -4.557672064 -0.025736
42 -4.438570969 -0.004996
43 -4.328336972 -0.000478
44 -4.244856764 -0.000051
45 -4.183046088 -0.000008
46 -4.086029328 -0.000000
47 -3.966581084 -0.000000
0.0000000E+00 0.5000000E+00 0.5000000E+00 0.2500000E+00
1 -19.744572080 1.000000
2 -16.589811366 1.000000
3 -16.370399353 1.000000
4 -16.346668586 1.000000
5 -12.990060985 1.000000
6 -11.745894546 1.000000
7 -11.643773936 1.000000
8 -11.579912343 1.000000
9 -11.536292281 1.000000
10 -10.987947154 1.000000
11 -7.289763657 1.000000
12 -7.194287758 1.000000
13 -6.579123199 1.000000
14 -6.488721413 1.000000
15 -6.424929460 1.000000
16 -6.343621254 1.000000
17 -5.981647446 1.000000
18 -5.697051441 1.000000
19 -5.588706827 1.000002
20 -5.406052300 1.000453
21 -5.358404424 1.001373
22 -5.160065151 1.028978
23 -5.152614112 1.030526
24 -5.101334657 1.035068
25 -5.067454421 1.025807
26 -5.015392656 0.975030
27 -4.961133768 0.856107
28 -4.948942866 0.819362
29 -4.917869545 0.711065
30 -4.913656010 0.694991
31 -4.898571821 0.635343
32 -4.875485817 0.539595
33 -4.859132021 0.470464
34 -4.847162248 0.420193
35 -4.822576770 0.320519
36 -4.799362126 0.234224
37 -4.762577452 0.120337
38 -4.750817702 0.090811
39 -4.672696569 -0.021368
40 -4.630445768 -0.035105
41 -4.577160737 -0.030027
42 -4.434496250 -0.004641
43 -4.328614685 -0.000481
44 -4.241663216 -0.000046
45 -4.177744805 -0.000006
46 -4.089830067 -0.000000
47 -3.958744278 -0.000000