./iterations/neb1_max2_image01_iter9_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 -25.104494558 1.000000
2 -20.322242281 1.000000
3 -20.012778169 1.000000
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31 -5.208814609 1.011431
32 -4.991117589 0.988787
33 -0.657608367 -0.000000
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41 0.702803462 0.000000
42 0.790835710 0.000000
43 0.919739179 0.000000
44 0.973656233 0.000000
45 1.047292704 0.000000
46 1.126907013 0.000000
47 1.219636985 0.000000
0.0000000E+00 0.5000000E+00 0.0000000E+00 0.2500000E+00
1 -25.104344084 1.000000
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27 -6.997395202 1.000000
28 -6.863936052 1.000000
29 -6.720947329 1.000000
30 -5.999071620 1.000000
31 -5.208448858 1.011492
32 -4.991027198 0.988669
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34 -0.341465456 -0.000000
35 -0.070671235 -0.000000
36 0.137499166 -0.000000
37 0.229004141 -0.000000
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39 0.506844344 0.000000
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41 0.779944766 0.000000
42 0.806795164 0.000000
43 0.833803224 0.000000
44 0.946157765 0.000000
45 0.956425745 0.000000
46 1.045091139 0.000000
47 1.226422573 0.000000
0.0000000E+00 0.0000000E+00 0.5000000E+00 0.2500000E+00
1 -25.104395229 1.000000
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3 -20.012719363 1.000000
4 -19.341757733 1.000000
5 -14.033820001 1.000000
6 -13.161667075 1.000000
7 -12.597571282 1.000000
8 -12.540640566 1.000000
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26 -7.042944432 1.000000
27 -6.997508599 1.000000
28 -6.864184193 1.000000
29 -6.720861089 1.000000
30 -5.998783815 1.000000
31 -5.208382551 1.011503
32 -4.990768845 0.988331
33 -0.665683442 -0.000000
34 -0.414454480 -0.000000
35 -0.010008145 -0.000000
36 0.151921506 -0.000000
37 0.287144366 -0.000000
38 0.428119806 -0.000000
39 0.488686447 -0.000000
40 0.599873086 0.000000
41 0.668014787 0.000000
42 0.766610086 0.000000
43 0.855589725 0.000000
44 1.030874253 0.000000
45 1.074614400 0.000000
46 1.089936078 0.000000
47 1.168887320 0.000000
0.0000000E+00 0.5000000E+00 0.5000000E+00 0.2500000E+00
1 -25.104287233 1.000000
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5 -14.033778103 1.000000
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31 -5.208176003 1.011538
32 -4.990705318 0.988248
33 -0.672918561 -0.000000
34 -0.360106302 -0.000000
35 0.043799979 -0.000000
36 0.153853358 -0.000000
37 0.290624395 -0.000000
38 0.436119001 -0.000000
39 0.502048723 0.000000
40 0.590192713 0.000000
41 0.714929976 0.000000
42 0.830548476 0.000000
43 0.858306041 0.000000
44 0.946784456 0.000000
45 0.960158006 0.000000
46 1.037930794 0.000000
47 1.099543975 0.000000