./iterations/neb1_max2_image01_iter104_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 -19.747309753 1.000000
2 -16.588178758 1.000000
3 -16.370780300 1.000000
4 -16.347277419 1.000000
5 -12.991783610 1.000000
6 -11.747059783 1.000000
7 -11.644311514 1.000000
8 -11.580416871 1.000000
9 -11.541531870 1.000000
10 -10.990787032 1.000000
11 -7.287078553 1.000000
12 -7.190649674 1.000000
13 -6.578638172 1.000000
14 -6.503462655 1.000000
15 -6.424140711 1.000000
16 -6.346166682 1.000000
17 -5.979010672 1.000000
18 -5.699564189 1.000000
19 -5.580909535 1.000003
20 -5.413607197 1.000381
21 -5.336980153 1.002190
22 -5.222931096 1.015158
23 -5.154359191 1.030284
24 -5.067335703 1.025475
25 -5.044813807 1.009767
26 -5.000984850 0.949576
27 -4.984904649 0.916040
28 -4.966349246 0.869246
29 -4.931838717 0.760232
30 -4.918184060 0.710205
31 -4.892787575 0.609521
32 -4.887417260 0.587314
33 -4.856571565 0.457376
34 -4.844640607 0.407455
35 -4.828981168 0.343667
36 -4.805126752 0.252794
37 -4.771134602 0.142440
38 -4.748355228 0.083828
39 -4.651598534 -0.031280
40 -4.617465837 -0.035390
41 -4.550208969 -0.023887
42 -4.436188127 -0.004740
43 -4.326645460 -0.000452
44 -4.246001476 -0.000052
45 -4.181990302 -0.000007
46 -4.079464270 -0.000000
47 -3.954788209 -0.000000
0.0000000E+00 0.5000000E+00 0.0000000E+00 0.2500000E+00
1 -19.747188809 1.000000
2 -16.588152834 1.000000
3 -16.370762833 1.000000
4 -16.347261610 1.000000
5 -12.991737242 1.000000
6 -11.747048903 1.000000
7 -11.644346830 1.000000
8 -11.580451872 1.000000
9 -11.541441262 1.000000
10 -10.990787049 1.000000
11 -7.287945269 1.000000
12 -7.190845070 1.000000
13 -6.579005329 1.000000
14 -6.501315288 1.000000
15 -6.426140150 1.000000
16 -6.343977790 1.000000
17 -5.982245450 1.000000
18 -5.694033757 1.000000
19 -5.586454171 1.000002
20 -5.402961452 1.000495
21 -5.355208862 1.001490
22 -5.199927534 1.020036
23 -5.156361899 1.029873
24 -5.069475231 1.026528
25 -5.040821433 1.006012
26 -4.995826495 0.939524
27 -4.989619233 0.926546
28 -4.952488943 0.828743
29 -4.915861883 0.701373
30 -4.910823491 0.681919
31 -4.900580153 0.641269
32 -4.868861579 0.509320
33 -4.864617259 0.491361
34 -4.856547302 0.457274
35 -4.828591434 0.342114
36 -4.806059205 0.256165
37 -4.770167413 0.139689
38 -4.751346679 0.090781
39 -4.674142291 -0.020796
40 -4.630023072 -0.035176
41 -4.570029864 -0.028396
42 -4.432971426 -0.004469
43 -4.326781364 -0.000454
44 -4.243140236 -0.000048
45 -4.176847176 -0.000006
46 -4.082028150 -0.000000
47 -3.964959909 -0.000000
0.0000000E+00 0.0000000E+00 0.5000000E+00 0.2500000E+00
1 -19.747186227 1.000000
2 -16.588153554 1.000000
3 -16.370762055 1.000000
4 -16.347259315 1.000000
5 -12.991739202 1.000000
6 -11.746884525 1.000000
7 -11.644478064 1.000000
8 -11.580459060 1.000000
9 -11.541514122 1.000000
10 -10.990783168 1.000000
11 -7.286894980 1.000000
12 -7.190711239 1.000000
13 -6.578044811 1.000000
14 -6.503600498 1.000000
15 -6.424097143 1.000000
16 -6.345647833 1.000000
17 -5.978787736 1.000000
18 -5.700609412 1.000000
19 -5.581420677 1.000003
20 -5.414162503 1.000376
21 -5.337554584 1.002164
22 -5.203221890 1.019302
23 -5.127239139 1.034613
24 -5.098056216 1.034683
25 -5.065509542 1.024521
26 -5.022076852 0.983952
27 -4.979415401 0.903099
28 -4.947318039 0.812469
29 -4.937650753 0.780440
30 -4.929453249 0.751742
31 -4.904567505 0.657253
32 -4.876526842 0.541699
33 -4.851038672 0.434128
34 -4.836531324 0.374109
35 -4.826728350 0.334717
36 -4.786168116 0.188072
37 -4.766460878 0.129359
38 -4.752833330 0.094321
39 -4.649621860 -0.031858
40 -4.618761651 -0.035425
41 -4.556152670 -0.025262
42 -4.438028481 -0.004900
43 -4.329458499 -0.000485
44 -4.246364735 -0.000052
45 -4.182869786 -0.000007
46 -4.082307248 -0.000000
47 -3.964105754 -0.000000
0.0000000E+00 0.5000000E+00 0.5000000E+00 0.2500000E+00
1 -19.747091260 1.000000
2 -16.588135908 1.000000
3 -16.370747661 1.000000
4 -16.347247235 1.000000
5 -12.991704283 1.000000
6 -11.746874849 1.000000
7 -11.644516091 1.000000
8 -11.580474353 1.000000
9 -11.541441370 1.000000
10 -10.990781323 1.000000
11 -7.287744480 1.000000
12 -7.190886041 1.000000
13 -6.578365946 1.000000
14 -6.501564938 1.000000
15 -6.426104759 1.000000
16 -6.343568179 1.000000
17 -5.982062151 1.000000
18 -5.694838164 1.000000
19 -5.586932383 1.000002
20 -5.401845475 1.000509
21 -5.355373267 1.001484
22 -5.161714306 1.028739
23 -5.153540929 1.030449
24 -5.103158424 1.035167
25 -5.068425304 1.026020
26 -5.017276237 0.977053
27 -4.960906250 0.853893
28 -4.949746951 0.820189
29 -4.918291293 0.710611
30 -4.914150800 0.694810
31 -4.898974751 0.634780
32 -4.875946374 0.539252
33 -4.859541364 0.469904
34 -4.847722064 0.420268
35 -4.823325727 0.321328
36 -4.800064952 0.234788
37 -4.762803769 0.119500
38 -4.751593087 0.091364
39 -4.672717784 -0.021691
40 -4.630799573 -0.035119
41 -4.575441311 -0.029557
42 -4.433836595 -0.004541
43 -4.329773525 -0.000488
44 -4.243204986 -0.000048
45 -4.177683006 -0.000006
46 -4.086021358 -0.000000
47 -3.955533788 -0.000000