./iterations/neb0_image04_iter20_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 -24.551738290 1.000000
2 -20.285993954 1.000000
3 -20.159490004 1.000000
4 -19.550350660 1.000000
5 -13.561030757 1.000000
6 -13.026762692 1.000000
7 -12.711595816 1.000000
8 -12.651633131 1.000000
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10 -11.314018298 1.000000
11 -11.153957362 1.000000
12 -10.782501076 1.000000
13 -9.378994697 1.000000
14 -9.279931918 1.000000
15 -9.106700463 1.000000
16 -8.861286870 1.000000
17 -8.763703582 1.000000
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20 -7.982827102 1.000000
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22 -7.655050471 1.000000
23 -7.441497983 1.000000
24 -7.285119052 1.000000
25 -7.264590245 1.000000
26 -7.216791634 1.000000
27 -7.136511383 1.000000
28 -6.944315575 1.000000
29 -6.931460194 1.000000
30 -5.846042611 1.000000
31 -5.412625249 1.011911
32 -5.197400874 0.988297
33 -0.606268280 -0.000000
34 -0.336601374 -0.000000
35 -0.072370207 -0.000000
36 0.074548450 -0.000000
37 0.214747057 -0.000000
38 0.417987294 0.000000
39 0.506835554 0.000000
40 0.677278285 0.000000
41 0.710050459 0.000000
42 0.780312204 0.000000
43 0.892166827 0.000000
44 0.921243004 0.000000
45 1.038414759 0.000000
46 1.123103755 0.000000
47 1.200272698 0.000000
0.0000000E+00 0.5000000E+00 0.0000000E+00 0.2500000E+00
1 -24.551614195 1.000000
2 -20.285959935 1.000000
3 -20.159462408 1.000000
4 -19.550337648 1.000000
5 -13.560960189 1.000000
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8 -12.651611207 1.000000
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10 -11.313824240 1.000000
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12 -10.782344948 1.000000
13 -9.378890494 1.000000
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16 -8.861222970 1.000000
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18 -8.371747404 1.000000
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20 -7.982799304 1.000000
21 -7.832425165 1.000000
22 -7.655079322 1.000000
23 -7.441257646 1.000000
24 -7.284990863 1.000000
25 -7.264326569 1.000000
26 -7.216787199 1.000000
27 -7.136408951 1.000000
28 -6.944201721 1.000000
29 -6.931455247 1.000000
30 -5.845879156 1.000000
31 -5.412288476 1.011969
32 -5.197243144 0.988090
33 -0.613998587 -0.000000
34 -0.255433953 -0.000000
35 -0.049495623 -0.000000
36 0.107718525 -0.000000
37 0.153888520 -0.000000
38 0.449683962 0.000000
39 0.494215058 0.000000
40 0.697332451 0.000000
41 0.772046342 0.000000
42 0.800039578 0.000000
43 0.870493879 0.000000
44 0.904157912 0.000000
45 0.972490090 0.000000
46 1.023541400 0.000000
47 1.135984426 0.000000
0.0000000E+00 0.0000000E+00 0.5000000E+00 0.2500000E+00
1 -24.551657027 1.000000
2 -20.285937495 1.000000
3 -20.159460694 1.000000
4 -19.550338657 1.000000
5 -13.560899234 1.000000
6 -13.026729693 1.000000
7 -12.711584389 1.000000
8 -12.651578569 1.000000
9 -12.199021487 1.000000
10 -11.313896087 1.000000
11 -11.153795512 1.000000
12 -10.782398909 1.000000
13 -9.378901067 1.000000
14 -9.279885064 1.000000
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16 -8.861119611 1.000000
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20 -7.982742492 1.000000
21 -7.832200922 1.000000
22 -7.655067791 1.000000
23 -7.441404770 1.000000
24 -7.285049185 1.000000
25 -7.264499705 1.000000
26 -7.216863778 1.000000
27 -7.136595320 1.000000
28 -6.944349060 1.000000
29 -6.931354840 1.000000
30 -5.845603068 1.000000
31 -5.412081098 1.012005
32 -5.197135169 0.987948
33 -0.614586577 -0.000000
34 -0.326492393 -0.000000
35 0.001647327 -0.000000
36 0.109103455 -0.000000
37 0.235165979 -0.000000
38 0.379168594 0.000000
39 0.533466325 0.000000
40 0.583577131 0.000000
41 0.700720527 0.000000
42 0.742289483 0.000000
43 0.859882479 0.000000
44 1.018124193 0.000000
45 1.027874920 0.000000
46 1.130507548 0.000000
47 1.158004353 0.000000
0.0000000E+00 0.5000000E+00 0.5000000E+00 0.2500000E+00
1 -24.551552237 1.000000
2 -20.285934618 1.000000
3 -20.159449148 1.000000
4 -19.550290143 1.000000
5 -13.560857364 1.000000
6 -13.026688137 1.000000
7 -12.711454758 1.000000
8 -12.651580459 1.000000
9 -12.198989329 1.000000
10 -11.313715564 1.000000
11 -11.153619529 1.000000
12 -10.782172038 1.000000
13 -9.378800180 1.000000
14 -9.279730161 1.000000
15 -9.106565810 1.000000
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20 -7.982707042 1.000000
21 -7.832394237 1.000000
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23 -7.441247264 1.000000
24 -7.284904944 1.000000
25 -7.264326286 1.000000
26 -7.216825888 1.000000
27 -7.136580235 1.000000
28 -6.944281043 1.000000
29 -6.931365938 1.000000
30 -5.845613055 1.000000
31 -5.411960466 1.012025
32 -5.196987130 0.987754
33 -0.620875159 -0.000000
34 -0.260607488 -0.000000
35 0.011640102 -0.000000
36 0.167476501 -0.000000
37 0.207156485 -0.000000
38 0.425223989 0.000000
39 0.505665150 0.000000
40 0.595961022 0.000000
41 0.724546288 0.000000
42 0.810250077 0.000000
43 0.871016281 0.000000
44 0.937442385 0.000000
45 1.006999098 0.000000
46 1.019964007 0.000000
47 1.070289773 0.000000