%chk=000054390.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054390

0 1
 Cl   5.326600       2.643600      -1.741300    
 O  -0.7078000       1.649500      0.4983000    
 O    1.733100      -1.787400       1.841800    
 N    1.559500     -0.5585000     -0.1991000    
 N   -2.133000      0.6451000      -1.036000    
 N   -5.311000       2.063800      0.2885000    
 C   0.9009000     -0.4369000      -1.471900    
 C   0.1855000      0.8983000      -1.625400    
 C   -3.337100      0.7213000     -0.2417000    
 C   -4.086600       2.020000     -0.5002000    
 C  -0.9077000       1.121500     -0.5922000    
 C    2.600300      0.4126000      0.1540000    
 C    1.236400      -1.591200      0.7334000    
 C   0.1966000      -2.558100      0.3323000    
 C    3.376700      0.9989000     -0.8456000    
 C    2.814700      0.7484000       1.490800    
 C   -5.019400       2.434000       1.674900    
 C   -6.268700       3.004600     -0.2965000    
 C    4.367800       1.920700     -0.5083000    
 C    3.805600       1.670200       1.828100    
 C   0.5524000      -3.723000     -0.3477000    
 C   -1.142200      -2.307700      0.6334000    
 C    4.582200       2.256400      0.8285000    
 C  -0.4305000      -4.637200     -0.7268000    
 C   -2.125100      -3.222100      0.2544000    
 C   -1.769200      -4.386800     -0.4257000    
 H    1.636800     -0.5756000      -2.271600    
 H   0.1664000      -1.227000      -1.638000    
 H  -0.2527000      0.9529000      -2.630000    
 H   0.8682000       1.751900      -1.560700    
 H   -3.953500     -0.1430000     -0.5136000    
 H   -3.054600      0.6158000      0.8102000    
 H   -3.447000       2.893200     -0.3148000    
 H   -4.326400       2.045300      -1.572400    
 H   -2.201200      0.2156000      -1.953900    
 H    3.245500      0.7427000      -1.892500    
 H    2.195500      0.3781000       2.300100    
 H   -4.377200       1.696800       2.166000    
 H   -5.944700       2.464500       2.261900    
 H   -4.539400       3.416800       1.749800    
 H   -6.541300       2.697000      -1.312200    
 H   -5.871200       4.025200     -0.3381000    
 H   -7.198100       3.019100      0.2837000    
 H    3.962200       1.944300       2.867400    
 H    1.592600      -3.927300     -0.5876000    
 H   -1.428300      -1.409600       1.173400    
 H    5.348300       2.975800       1.105900    
 H  -0.1535000      -5.544000      -1.256600    
 H   -3.167200      -3.027600      0.4906000    
 H   -2.534500      -5.098800     -0.7204000    


%chk=000054390-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054390

0 1
Cl 6.704152 0.924784 -0.762183
O -0.881293 1.323244 0.670677
O 2.534098 -2.129595 1.116441
N 1.657388 -0.515779 -0.324531
N -2.281535 0.930872 -1.143215
N -5.570172 2.111151 0.374174
C 0.927920 -0.196821 -1.573160
C 0.140056 1.147137 -1.558451
C -3.512843 0.874971 -0.338755
C -4.314089 2.199540 -0.401994
C -1.035425 1.159190 -0.582588
C 2.715799 0.404703 0.061237
C 1.616997 -1.766782 0.319337
C 0.434746 -2.668030 0.051087
C 4.016679 0.230009 -0.467409
C 2.429743 1.464757 0.951243
C -5.354201 2.164398 1.836703
C -6.580799 3.096594 -0.063478
C 5.017953 1.141093 -0.089979
C 3.461568 2.360158 1.312947
C 0.679887 -4.021680 -0.293144
C -0.897706 -2.232785 0.270274
C 4.768369 2.208944 0.794112
C -0.396532 -4.919130 -0.460550
C -1.971671 -3.138847 0.122556
C -1.726300 -4.479300 -0.255478
H 1.664207 -0.129902 -2.401669
H 0.249895 -1.035256 -1.800381
H -0.199962 1.337350 -2.595080
H 0.825428 1.965413 -1.278356
H -4.156777 0.049009 -0.691382
H -3.201886 0.662792 0.697837
H -3.653081 3.035446 -0.059843
H -4.579504 2.404461 -1.457474
H -2.355941 0.823475 -2.156052
H 4.238886 -0.610367 -1.130993
H 1.410018 1.568728 1.337570
H -4.671150 1.360978 2.159163
H -6.317494 2.013588 2.355295
H -4.922827 3.139224 2.177446
H -6.785416 2.970577 -1.141692
H -6.273760 4.159040 0.110616
H -7.524827 2.923839 0.483923
H 3.251897 3.181868 2.005743
H 1.714365 -4.361958 -0.409429
H -1.083668 -1.204391 0.597029
H 5.570878 2.897621 1.073454
H -0.199753 -5.961008 -0.736450
H -2.996719 -2.801661 0.314951
H -2.560898 -5.179563 -0.373500


