%chk=000112774.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112774

0 1
 Cl  -5.682100       4.135600      -2.157100    
 O    5.706100       1.752900       2.249800    
 O   -6.213200      -1.654800       1.273000    
 N  -0.8246000     -0.3208000      2.2600001E-02
 N   -1.619500      0.6633000     -0.4827000    
 C   0.5551000     -0.2458000     -0.1364000    
 C    1.116600     -0.8277000      -1.264600    
 C    2.771900      0.4503000      0.6044000    
 C    1.366200      0.3951000      0.8047000    
 C    3.353800     -0.1428000     -0.5470000    
 C   0.2758000      -1.520200      -2.290900    
 C   -1.512200      -1.319900      0.6663000    
 C    2.495300     -0.7766000      -1.466300    
 C   -2.826300     -0.9352000      0.5557000    
 C    3.547800       1.106400       1.579100    
 C   -2.852700      0.2714000     -0.1469000    
 C    4.825400     -7.5999998E-02 -0.7393000    
 C   -3.873800      -1.676800       1.080900    
 C    5.634500      0.5721000      0.2149000    
 C   0.7931000      0.9820000       1.943600    
 C   -4.138800      0.8957000     -0.3986000    
 C    5.015400       1.187400       1.411300    
 C   0.6226000      -3.013700      -2.418400    
 C   0.3586000     -0.8406000      -3.668700    
 C    2.963300       1.688200       2.711300    
 C   -1.158300      -2.497100       1.324100    
 C   -5.302800      0.2305000      9.2000000E-02
 C   -5.215700      -1.085400      0.8528000    
 C    1.586700       1.624100       2.890100    
 C   -3.567000      -2.859800       1.746200    
 C    5.485500     -0.6377000      -1.849900    
 C   -2.221800      -3.256500       1.861100    
 C    7.028100      0.6547000      6.7100003E-02
 C   -4.259000       2.100700      -1.091600    
 C   -6.561500      0.7952000     -0.1271000    
 C    6.874700     -0.5577000      -1.999900    
 C    7.645100      8.8100001E-02  -1.042400    
 C   -5.525000       2.649400      -1.300600    
 C   -6.667200       2.001900     -0.8222000    
 H  -0.7862000      -1.498300      -2.032300    
 H    2.901100      -1.241700      -2.359100    
 H  -0.2770000      0.9637000       2.133700    
 H    1.635800      -3.172700      -2.802300    
 H  -7.1400002E-02  -3.510900      -3.105300    
 H   0.5488000      -3.515400      -1.447200    
 H   9.1899998E-02  0.2197000      -3.595900    
 H  -0.3365000      -1.313000      -4.371600    
 H    1.361500     -0.9059000      -4.103700    
 H  -0.1288000      -2.820400       1.423100    
 H    3.564000       2.194200       3.462200    
 H    1.130500       2.074500       3.766700    
 H   -4.348500      -3.478500       2.176300    
 H    4.943800      -1.156400      -2.635200    
 H   -1.990200      -4.183200       2.382800    
 H    7.646600       1.156100      0.8067000    
 H   -3.376200       2.612200      -1.468100    
 H   -7.467200      0.3152000      0.2326000    
 H    7.350300      -1.002700      -2.869400    
 H    8.722800      0.1502000      -1.159100    
 H   -7.653700       2.429500     -0.9855000    


%chk=000112774-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000112774

0 1
Cl -5.900523 3.594635 -3.007427
O 5.919520 1.417301 2.466701
O -6.379191 -1.448896 1.612851
N -0.820334 -0.359372 0.063821
N -1.685650 0.510383 -0.644412
C 0.601124 -0.304614 -0.154593
C 1.149293 -0.805298 -1.348717
C 2.863540 0.314101 0.676047
C 1.432480 0.274884 0.870495
C 3.432067 -0.194380 -0.548212
C 0.281107 -1.390217 -2.464705
C -1.532601 -1.216825 0.922439
C 2.564538 -0.723133 -1.518018
C -2.891890 -0.867231 0.743185
C 3.690087 0.878953 1.707434
C -2.942006 0.183261 -0.213209
C 4.900973 -0.141179 -0.744275
C -3.964323 -1.486145 1.410024
C 5.740274 0.404747 0.279142
C 0.877128 0.826616 2.070435
C -4.242286 0.732174 -0.579769
C 5.171934 0.935012 1.551556
C 0.826732 -2.736643 -3.005178
C 0.116579 -0.350979 -3.609357
C 3.110954 1.395352 2.879755
C -1.191150 -2.255280 1.821343
C -5.396581 0.151242 0.063586
C -5.325854 -0.973093 1.077829
C 1.703566 1.376301 3.057213
C -3.633214 -2.522516 2.310577
C 5.528473 -0.621665 -1.928559
C -2.264778 -2.886959 2.499841
C 7.147795 0.458409 0.106486
C -4.401741 1.783906 -1.516518
C -6.681600 0.654702 -0.264286
C 6.924638 -0.564408 -2.092021
C 7.744991 -0.021662 -1.070211
C -5.695109 2.244037 -1.804865
C -6.846373 1.697321 -1.194005
H -0.725704 -1.581363 -2.050426
H 2.974010 -1.110558 -2.454681
H -0.208177 0.827188 2.206533
H 1.789194 -2.610938 -3.534983
H 0.109975 -3.164830 -3.729134
H 0.975420 -3.471732 -2.193633
H -0.350112 0.573738 -3.228803
H -0.524595 -0.763064 -4.410017
H 1.094914 -0.091367 -4.055620
H -0.155971 -2.563129 1.995221
H 3.777571 1.817281 3.638687
H 1.262535 1.797666 3.966077
H -4.427277 -3.040975 2.856706
H 4.928354 -1.046562 -2.738172
H -2.031064 -3.693925 3.202812
H 7.741626 0.886280 0.920303
H -3.523211 2.222499 -1.997019
H -7.548321 0.205256 0.230943
H 7.377607 -0.942048 -3.015275
H 8.831280 0.022145 -1.199703
H -7.839143 2.081695 -1.442438


