%chk=000054995.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054995

0 1
 Cl   3.226500      -3.077700      0.9087000    
 Cl  -1.612400      0.5794000       2.621600    
 Cl  -1.603800      -1.071000      -2.605400    
 O    5.369800       1.349700     -0.4859000    
 O   -5.865000     -0.1472000     -2.8700000E-02
 N   0.5133000      0.7960000     -0.3179000    
 C    1.846400      0.4685000     -0.2125000    
 C  -0.2651000     -0.2782000      2.0099999E-02
 C    1.910600     -0.8619000      0.2074000    
 C   1.6200000E-02   2.094400     -0.7283000    
 C   0.5709000      -1.320000      0.3500000    
 C   -1.710900     -0.2441000      7.4999998E-03
 C    2.988500       1.240100     -0.4545000    
 C    3.175600      -1.453300      0.3958000    
 C  -0.1752000       3.014100      0.4627000    
 C    4.232200      0.6322000     -0.2609000    
 C    4.326700     -0.6935000      0.1578000    
 C   -2.414600      0.1359000       1.153100    
 C   -2.410700     -0.5919000      -1.150800    
 C   -3.809100      0.1680000       1.140600    
 C   -3.805300     -0.5598000      -1.163100    
 C   -4.504400     -0.1798000     -1.7500000E-02
 H   0.7347000       2.526100      -1.432800    
 H  -0.9182000       1.971400      -1.283800    
 H   0.2506000      -2.305900      0.6607000    
 H    2.923500       2.274300     -0.7759000    
 H   -1.080800       2.772100       1.019400    
 H  -0.2908000       4.046200      0.1147000    
 H   0.6757000       2.984200       1.150900    
 H    5.305000      -1.147400      0.3024000    
 H   -4.364700      0.4630000       2.027800    
 H   -4.351800     -0.8299000      -2.064000    
 H    6.141000      0.7848000     -0.3065000    
 H   -6.180000     -0.4168000     -0.9086000    


%chk=000054995-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054995

0 1
Cl 3.323367 -3.149405 1.124591
Cl -1.747407 0.290812 2.769524
Cl -1.580136 -0.745798 -2.729669
O 5.408693 1.377352 -0.557799
O -6.027375 -0.295334 -0.013701
N 0.514391 0.816661 -0.354659
C 1.860738 0.471952 -0.217282
C -0.277726 -0.283042 0.063290
C 1.912975 -0.880499 0.287058
C 0.025549 2.146055 -0.759614
C 0.554438 -1.330120 0.456220
C -1.759021 -0.248424 0.019383
C 3.017326 1.232390 -0.497894
C 3.190921 -1.442717 0.492157
C 0.064388 3.177684 0.389426
C 4.259354 0.612210 -0.272468
C 4.363380 -0.724532 0.222816
C -2.561427 -0.036918 1.176690
C -2.490447 -0.468303 -1.178343
C -3.964565 -0.054122 1.169152
C -3.895109 -0.491218 -1.247694
C -4.629994 -0.286206 -0.055651
H 0.638524 2.493063 -1.612098
H -1.006913 2.031369 -1.131052
H 0.228977 -2.304836 0.810837
H 2.989241 2.257568 -0.874654
H -0.575515 2.854397 1.228732
H -0.298452 4.158166 0.030716
H 1.091301 3.308378 0.772620
H 5.343938 -1.183409 0.391588
H -4.545834 0.107709 2.079036
H -4.395495 -0.671860 -2.204712
H 6.230175 0.860932 -0.368183
H -6.417856 -0.477954 -0.904262


