./iterations/neb1_max2_image01_iter95_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 -19.745792981 1.000000
2 -16.588979919 1.000000
3 -16.370521534 1.000000
4 -16.347190319 1.000000
5 -12.990957734 1.000000
6 -11.746690868 1.000000
7 -11.644032902 1.000000
8 -11.580231351 1.000000
9 -11.539121261 1.000000
10 -10.989451512 1.000000
11 -7.288032684 1.000000
12 -7.192209608 1.000000
13 -6.579061945 1.000000
14 -6.497315050 1.000000
15 -6.423548874 1.000000
16 -6.346191457 1.000000
17 -5.978771065 1.000000
18 -5.700652428 1.000000
19 -5.581893376 1.000003
20 -5.415365816 1.000362
21 -5.338567124 1.002106
22 -5.222317135 1.015222
23 -5.153403110 1.030418
24 -5.066758971 1.025330
25 -5.044539227 1.009783
26 -5.000213177 0.948670
27 -4.984614164 0.916044
28 -4.965631807 0.868074
29 -4.931374972 0.759627
30 -4.918131468 0.711113
31 -4.892409945 0.609171
32 -4.887192353 0.587595
33 -4.856561943 0.458569
34 -4.844259683 0.407089
35 -4.828927790 0.344621
36 -4.804670625 0.252205
37 -4.771052084 0.143040
38 -4.748123534 0.083967
39 -4.651490898 -0.031224
40 -4.617380745 -0.035397
41 -4.550958445 -0.024129
42 -4.436472024 -0.004789
43 -4.326168817 -0.000450
44 -4.245356624 -0.000051
45 -4.182039323 -0.000007
46 -4.081299802 -0.000000
47 -3.956484972 -0.000000
0.0000000E+00 0.5000000E+00 0.0000000E+00 0.2500000E+00
1 -19.745672012 1.000000
2 -16.588954008 1.000000
3 -16.370504092 1.000000
4 -16.347174472 1.000000
5 -12.990911419 1.000000
6 -11.746679848 1.000000
7 -11.644066823 1.000000
8 -11.580266148 1.000000
9 -11.539032501 1.000000
10 -10.989451664 1.000000
11 -7.288898538 1.000000
12 -7.192407126 1.000000
13 -6.579325914 1.000000
14 -6.495248528 1.000000
15 -6.425551256 1.000000
16 -6.344016179 1.000000
17 -5.981999530 1.000000
18 -5.695116359 1.000000
19 -5.587298108 1.000002
20 -5.404913507 1.000469
21 -5.356653138 1.001435
22 -5.199240687 1.020125
23 -5.155962672 1.029895
24 -5.068936008 1.026410
25 -5.039879302 1.005371
26 -4.995003636 0.938453
27 -4.988961937 0.925753
28 -4.952457134 0.829547
29 -4.915787872 0.702208
30 -4.910354479 0.681230
31 -4.900455093 0.641944
32 -4.868509483 0.509068
33 -4.864499997 0.492103
34 -4.856298723 0.457460
35 -4.828252254 0.341928
36 -4.805700189 0.255925
37 -4.770100718 0.140329
38 -4.751068723 0.090815
39 -4.674121867 -0.020621
40 -4.629851545 -0.035168
41 -4.570839985 -0.028637
42 -4.433312306 -0.004522
43 -4.326283491 -0.000452
44 -4.242482236 -0.000047
45 -4.176832740 -0.000006
46 -4.083914699 -0.000000
47 -3.966298842 -0.000000
0.0000000E+00 0.0000000E+00 0.5000000E+00 0.2500000E+00
1 -19.745669528 1.000000
2 -16.588954700 1.000000
3 -16.370503299 1.000000
4 -16.347172212 1.000000
5 -12.990913354 1.000000
6 -11.746516262 1.000000
7 -11.644198632 1.000000
8 -11.580271916 1.000000
9 -11.539105514 1.000000
10 -10.989447299 1.000000
11 -7.287848483 1.000000
12 -7.192270947 1.000000
13 -6.578495723 1.000000
14 -6.497427225 1.000000
15 -6.423506473 1.000000
16 -6.345681819 1.000000
17 -5.978550025 1.000000
18 -5.701671702 1.000000
19 -5.582409626 1.000003
20 -5.415922462 1.000357
21 -5.339129179 1.002082
22 -5.202659442 1.019362
23 -5.126368655 1.034671
24 -5.097171379 1.034611
25 -5.064872212 1.024335
26 -5.021644744 0.983759
27 -4.979139577 0.903140
28 -4.947117360 0.812763
29 -4.937234775 0.780019
30 -4.929057992 0.751374
31 -4.904277146 0.657262
32 -4.876174410 0.541447
33 -4.850692485 0.433903
34 -4.836505940 0.375198
35 -4.826456397 0.334798
36 -4.785858478 0.188017
37 -4.766358053 0.129879
38 -4.752681638 0.094659
39 -4.649523090 -0.031804
40 -4.618688815 -0.035430
41 -4.556931526 -0.025509
42 -4.438331367 -0.004953
43 -4.328983653 -0.000483
44 -4.245699860 -0.000052
45 -4.182923835 -0.000008
46 -4.084098605 -0.000000
47 -3.965306146 -0.000000
0.0000000E+00 0.5000000E+00 0.5000000E+00 0.2500000E+00
1 -19.745574492 1.000000
2 -16.588937104 1.000000
3 -16.370488919 1.000000
4 -16.347160097 1.000000
5 -12.990878471 1.000000
6 -11.746506442 1.000000
7 -11.644235239 1.000000
8 -11.580288075 1.000000
9 -11.539033575 1.000000
10 -10.989445573 1.000000
11 -7.288698020 1.000000
12 -7.192448251 1.000000
13 -6.578715379 1.000000
14 -6.495473818 1.000000
15 -6.425517733 1.000000
16 -6.343611849 1.000000
17 -5.981816422 1.000000
18 -5.695897206 1.000000
19 -5.587775274 1.000002
20 -5.403845653 1.000481
21 -5.356818101 1.001429
22 -5.160961119 1.028838
23 -5.153132160 1.030472
24 -5.102275827 1.035123
25 -5.067933980 1.025922
26 -5.016371739 0.976136
27 -4.960934333 0.854818
28 -4.949196604 0.819376
29 -4.917924316 0.710329
30 -4.913774227 0.694486
31 -4.898736978 0.635002
32 -4.875828303 0.539988
33 -4.859320112 0.470205
34 -4.847427854 0.420261
35 -4.822996829 0.321186
36 -4.799719066 0.234601
37 -4.762762015 0.120165
38 -4.751295060 0.091351
39 -4.672717726 -0.021510
40 -4.630646939 -0.035109
41 -4.576297925 -0.029798
42 -4.434199299 -0.004595
43 -4.329279800 -0.000486
44 -4.242525931 -0.000047
45 -4.177681369 -0.000006
46 -4.087855376 -0.000000
47 -3.957096454 -0.000000