./iterations/neb1_max2_image01_iter17_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     0.409856055763E+03    0.40986E+03   -0.15911E+04   424   0.706E+02 
DAV:   2    -0.103197598948E+02   -0.42018E+03   -0.40138E+03   601   0.166E+02 
DAV:   3    -0.140937083248E+03   -0.13062E+03   -0.12999E+03   552   0.983E+01 
DAV:   4    -0.148870027537E+03   -0.79329E+01   -0.79184E+01   464   0.298E+01 
DAV:   5    -0.149062428392E+03   -0.19240E+00   -0.19229E+00   528   0.441E+00    0.249E+01
DAV:   6    -0.136608396983E+03    0.12454E+02   -0.36576E+01   450   0.257E+01    0.133E+01
DAV:   7    -0.135091175542E+03    0.15172E+01   -0.47545E+00   496   0.900E+00    0.597E+00
DAV:   8    -0.134466503359E+03    0.62467E+00   -0.86288E-01   496   0.426E+00    0.213E+00
DAV:   9    -0.134293215607E+03    0.17329E+00   -0.27600E-01   480   0.214E+00    0.573E-01
DAV:  10    -0.134268280530E+03    0.24935E-01   -0.69136E-02   488   0.111E+00    0.402E-01
DAV:  11    -0.134259693803E+03    0.85867E-02   -0.12572E-02   472   0.557E-01    0.175E-01
DAV:  12    -0.134256493316E+03    0.32005E-02   -0.66782E-03   456   0.355E-01    0.140E-01
DAV:  13    -0.134259659121E+03   -0.31658E-02   -0.53029E-03   513   0.394E-01    0.101E-01
DAV:  14    -0.134266171658E+03   -0.65125E-02   -0.30622E-03   456   0.242E-01    0.881E-02
DAV:  15    -0.134271125994E+03   -0.49543E-02   -0.18670E-03   496   0.200E-01    0.458E-02
DAV:  16    -0.134275066855E+03   -0.39409E-02   -0.70667E-04   456   0.114E-01    0.515E-02
DAV:  17    -0.134276965993E+03   -0.18991E-02   -0.12193E-04   488   0.496E-02    0.362E-02
DAV:  18    -0.134279874614E+03   -0.29086E-02   -0.57891E-04   520   0.959E-02    0.215E-02
DAV:  19    -0.134280571959E+03   -0.69734E-03   -0.78010E-05   472   0.464E-02    0.131E-02
DAV:  20    -0.134281105869E+03   -0.53391E-03   -0.56671E-05   464   0.275E-02    0.977E-03
DAV:  21    -0.134281605402E+03   -0.49953E-03   -0.35108E-05   400   0.216E-02    0.650E-03
DAV:  22    -0.134281768504E+03   -0.16310E-03   -0.14050E-05   338   0.153E-02    0.278E-03
DAV:  23    -0.134281829558E+03   -0.61053E-04   -0.71461E-06   336   0.118E-02    0.399E-03
DAV:  24    -0.134281870190E+03   -0.40632E-04   -0.40850E-06   313   0.810E-03    0.262E-03
DAV:  25    -0.134281877816E+03   -0.76258E-05   -0.24877E-06   344   0.720E-03 
   1 F= -.13428188E+03 E0= -.13428790E+03  d E =0.180557E-01