./iterations/neb1_max2_image01_iter71_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 -20.247739505 1.000000
2 -18.754917554 1.000000
3 -17.674504210 1.000000
4 -16.698745544 1.000000
5 -16.477416331 1.000000
6 -13.350916921 1.000000
7 -12.895571590 1.000000
8 -12.474218053 1.000000
9 -11.669114197 1.000000
10 -11.522682133 1.000000
11 -11.343657907 1.000000
12 -9.642871620 1.000000
13 -8.733148796 1.000000
14 -8.325129057 1.000000
15 -8.122962522 1.000000
16 -7.779123208 1.000000
17 -7.596937639 1.000000
18 -7.203991596 1.000000
19 -6.918458399 1.000000
20 -6.768452354 1.000000
21 -6.639350099 1.000000
22 -6.457186728 1.000000
23 -6.209255617 1.000000
24 -6.114934470 1.000000
25 -5.901619879 1.000000
26 -5.634452810 1.000000
27 -5.528172751 1.000000
28 -5.230048144 1.000887
29 -5.117775965 1.008062
30 -4.942439411 1.033544
31 -4.808339755 0.841533
32 -4.774127363 0.726331
33 -4.677447222 0.331073
34 -4.611371841 0.111473
35 -4.533283213 -0.015504
36 -4.466633753 -0.035292
37 -3.737046788 -0.000000
38 -3.388652890 -0.000000
39 -3.214714732 -0.000000
40 -3.030814289 -0.000000
41 -2.825752086 -0.000000
42 -2.535549303 -0.000000
43 -2.060945825 -0.000000
44 -1.892292263 -0.000000
45 -1.365041458 -0.000000
46 -0.842286504 -0.000000
47 -0.691381150 -0.000000
0.0000000E+00 0.5000000E+00 0.0000000E+00 0.2500000E+00
1 -20.247611069 1.000000
2 -18.754889984 1.000000
3 -17.674501325 1.000000
4 -16.698719308 1.000000
5 -16.477392381 1.000000
6 -13.350834983 1.000000
7 -12.895528294 1.000000
8 -12.474171665 1.000000
9 -11.669240146 1.000000
10 -11.522658334 1.000000
11 -11.343503257 1.000000
12 -9.642888707 1.000000
13 -8.732980914 1.000000
14 -8.325314439 1.000000
15 -8.122742955 1.000000
16 -7.779105403 1.000000
17 -7.596180773 1.000000
18 -7.202912097 1.000000
19 -6.918162619 1.000000
20 -6.770798970 1.000000
21 -6.639717820 1.000000
22 -6.456408774 1.000000
23 -6.208933078 1.000000
24 -6.114817548 1.000000
25 -5.902731678 1.000000
26 -5.631539384 1.000000
27 -5.526632465 1.000000
28 -5.226224908 1.000968
29 -5.111387891 1.008925
30 -4.956576176 1.035278
31 -4.803048894 0.825392
32 -4.784951403 0.765415
33 -4.668794192 0.297471
34 -4.616508139 0.125022
35 -4.520000591 -0.024222
36 -4.477805453 -0.035379
37 -3.736666330 -0.000000
38 -3.392920083 -0.000000
39 -3.216455022 -0.000000
40 -3.025260763 -0.000000
41 -2.823224901 -0.000000
42 -2.533605025 -0.000000
43 -2.068702360 -0.000000
44 -1.887475564 -0.000000
45 -1.357060102 -0.000000
46 -0.843180352 -0.000000
47 -0.677689974 -0.000000
0.0000000E+00 0.0000000E+00 0.5000000E+00 0.2500000E+00
1 -20.247610866 1.000000
2 -18.754871878 1.000000
3 -17.674476718 1.000000
4 -16.698717036 1.000000
5 -16.477395609 1.000000
6 -13.350878496 1.000000
7 -12.895496707 1.000000
8 -12.474213165 1.000000
9 -11.669099196 1.000000
10 -11.522639590 1.000000
11 -11.343606919 1.000000
12 -9.642800188 1.000000
13 -8.733062734 1.000000
14 -8.325035228 1.000000
15 -8.122881900 1.000000
16 -7.778955077 1.000000
17 -7.596793918 1.000000
18 -7.203872330 1.000000
19 -6.918315534 1.000000
20 -6.768424462 1.000000
21 -6.639310087 1.000000
22 -6.457140364 1.000000
23 -6.209472825 1.000000
24 -6.114902378 1.000000
25 -5.901920571 1.000000
26 -5.634176698 1.000000
27 -5.527805838 1.000000
28 -5.229911809 1.000890
29 -5.117413430 1.008110
30 -4.942090292 1.033475
31 -4.808214810 0.841159
32 -4.773392942 0.723601
33 -4.678032040 0.333383
34 -4.611385178 0.111508
35 -4.532783107 -0.015888
36 -4.463919147 -0.035137
37 -3.737130564 -0.000000
38 -3.388091439 -0.000000
39 -3.214767427 -0.000000
40 -3.032954751 -0.000000
41 -2.827861271 -0.000000
42 -2.535753904 -0.000000
43 -2.061137474 -0.000000
44 -1.892978641 -0.000000
45 -1.363530935 -0.000000
46 -0.841267168 -0.000000
47 -0.679054152 -0.000000
0.0000000E+00 0.5000000E+00 0.5000000E+00 0.2500000E+00
1 -20.247525464 1.000000
2 -18.754855148 1.000000
3 -17.674468662 1.000000
4 -16.698658389 1.000000
5 -16.477373727 1.000000
6 -13.350803017 1.000000
7 -12.895422887 1.000000
8 -12.474151087 1.000000
9 -11.669233577 1.000000
10 -11.522610232 1.000000
11 -11.343468184 1.000000
12 -9.642885468 1.000000
13 -8.732980577 1.000000
14 -8.325247973 1.000000
15 -8.122628297 1.000000
16 -7.778926570 1.000000
17 -7.596037751 1.000000
18 -7.202747104 1.000000
19 -6.918129435 1.000000
20 -6.770765021 1.000000
21 -6.639676766 1.000000
22 -6.456288986 1.000000
23 -6.209179224 1.000000
24 -6.114774265 1.000000
25 -5.903098738 1.000000
26 -5.631405365 1.000000
27 -5.526255578 1.000000
28 -5.226087979 1.000971
29 -5.111071654 1.008969
30 -4.955957865 1.035243
31 -4.802945562 0.825070
32 -4.784877887 0.765157
33 -4.668942486 0.298038
34 -4.616167820 0.124104
35 -4.520059969 -0.024190
36 -4.475431960 -0.035441
37 -3.736650989 -0.000000
38 -3.392808405 -0.000000
39 -3.216198066 -0.000000
40 -3.025229549 -0.000000
41 -2.827603534 -0.000000
42 -2.533889503 -0.000000
43 -2.067576881 -0.000000
44 -1.887427698 -0.000000
45 -1.355788406 -0.000000
46 -0.841898750 -0.000000
47 -0.665855497 -0.000000