./iterations/neb1_max2_image01_iter46_OSZICAR.out output for 41: 3.3A-->1.3A (Job 121) O-H...N hydrogen bond by TSA-OH, TSA-NH2 (TSS)

Status: finished

       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1     0.411953393808E+03    0.41195E+03   -0.15918E+04   424   0.706E+02 
DAV:   2    -0.777090579557E+01   -0.41972E+03   -0.40166E+03   593   0.166E+02 
DAV:   3    -0.140038722139E+03   -0.13227E+03   -0.13161E+03   552   0.986E+01 
DAV:   4    -0.148561701086E+03   -0.85230E+01   -0.85070E+01   488   0.305E+01 
DAV:   5    -0.148712212010E+03   -0.15051E+00   -0.15043E+00   512   0.409E+00    0.249E+01
DAV:   6    -0.136048563559E+03    0.12664E+02   -0.36456E+01   443   0.259E+01    0.132E+01
DAV:   7    -0.134539777615E+03    0.15088E+01   -0.53435E+00   496   0.955E+00    0.601E+00
DAV:   8    -0.133907589720E+03    0.63219E+00   -0.93323E-01   496   0.444E+00    0.216E+00
DAV:   9    -0.133726181720E+03    0.18141E+00   -0.29361E-01   480   0.225E+00    0.581E-01
DAV:  10    -0.133700659001E+03    0.25523E-01   -0.72840E-02   496   0.118E+00    0.414E-01
DAV:  11    -0.133689968397E+03    0.10691E-01   -0.12039E-02   472   0.564E-01    0.188E-01
DAV:  12    -0.133686507571E+03    0.34608E-02   -0.66879E-03   464   0.375E-01    0.144E-01
DAV:  13    -0.133688338186E+03   -0.18306E-02   -0.43166E-03   480   0.388E-01    0.928E-02
DAV:  14    -0.133696274131E+03   -0.79359E-02   -0.36837E-03   456   0.279E-01    0.734E-02
DAV:  15    -0.133701638849E+03   -0.53647E-02   -0.11666E-03   496   0.160E-01    0.406E-02
DAV:  16    -0.133705237337E+03   -0.35985E-02   -0.49425E-04   480   0.870E-02    0.353E-02
DAV:  17    -0.133707978130E+03   -0.27408E-02   -0.16609E-04   456   0.494E-02    0.196E-02
DAV:  18    -0.133710451689E+03   -0.24736E-02   -0.31174E-04   528   0.577E-02    0.131E-02
DAV:  19    -0.133711289712E+03   -0.83802E-03   -0.61548E-05   464   0.330E-02    0.930E-03
DAV:  20    -0.133711697091E+03   -0.40738E-03   -0.56469E-05   496   0.281E-02    0.116E-02
DAV:  21    -0.133711892239E+03   -0.19515E-03   -0.28812E-05   418   0.251E-02    0.450E-03
DAV:  22    -0.133711946966E+03   -0.54727E-04   -0.10204E-05   336   0.144E-02    0.350E-03
DAV:  23    -0.133711989645E+03   -0.42679E-04   -0.39049E-06   313   0.915E-03    0.349E-03
DAV:  24    -0.133712029505E+03   -0.39861E-04   -0.22880E-06   328   0.538E-03    0.272E-03
DAV:  25    -0.133712039758E+03   -0.10253E-04   -0.29228E-06   336   0.846E-03    0.115E-03
DAV:  26    -0.133712044104E+03   -0.43463E-05   -0.10894E-06   320   0.474E-03 
   1 F= -.13371204E+03 E0= -.13371670E+03  d E =0.139771E-01