%chk=000053361.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053361

0 1
 Cl  -2.221800      -3.705600      -2.288400    
 O  -0.7211000       1.167000     -0.1033000    
 N    2.947000      0.8291000     -0.2542000    
 N    6.070000      0.2357000     -0.2926000    
 C    3.217800       1.043300       1.170200    
 C    3.970400       1.379200      -1.141100    
 C    4.672700      0.9318000       1.637100    
 C    5.084800      0.3493000      -1.374800    
 C    5.487000     -0.1870000      0.9884000    
 C    1.614500       1.329700     -0.5935000    
 C   0.5517000      0.6392000      0.2464000    
 C    7.131300     -0.6954000     -0.6900000    
 C   -1.762100      0.5601000      0.6498000    
 C   -1.724600     -0.9523000      0.5449000    
 C   -3.101300       1.145200      0.2521000    
 C   -1.963500      -1.548200     -0.6796000    
 C   -1.451000      -1.697800       1.676700    
 C   -4.115700       1.207000       1.190700    
 C   -3.279500       1.604300      -1.040800    
 C   -1.927600      -2.939100     -0.7758000    
 C   -1.415400      -3.088800       1.580400    
 C   -5.349100       1.745900      0.8245000    
 C   -4.513000       2.143100      -1.407000    
 C   -1.653700      -3.709600      0.3543000    
 C   -5.547700       2.214000     -0.4744000    
 H    2.671400      0.2827000       1.740900    
 H    2.850300       2.024600       1.499700    
 H    4.360700       2.343600     -0.7922000    
 H    3.535700       1.576600      -2.130500    
 H    4.662600      0.7698000       2.723200    
 H    5.182900       1.893100       1.490200    
 H    4.645000     -0.6304000      -1.609200    
 H    5.615200      0.6699000      -2.281800    
 H    6.305400     -0.4135000       1.684600    
 H    4.896700      -1.106700      0.8884000    
 H    1.389000       1.131600      -1.649600    
 H    1.547100       2.418700     -0.4683000    
 H   0.6931000      0.8203000       1.316400    
 H   0.6181000     -0.4352000      4.7200002E-02
 H    6.751600      -1.712600     -0.8406000    
 H    7.920500     -0.7295000      6.9399998E-02
 H    7.610900     -0.3637000      -1.617800    
 H   -1.592700      0.8585000       1.694900    
 H   -2.161200     -0.9553000      -1.567500    
 H   -1.262800      -1.226100       2.636500    
 H   -3.971400      0.8438000       2.204000    
 H   -2.492500       1.555300      -1.787200    
 H   -1.201600      -3.688600       2.460300    
 H   -6.155000       1.800400       1.550500    
 H   -4.668400       2.506100      -2.418800    
 H   -1.622500      -4.794500      0.2944000    
 H   -6.508200       2.633000     -0.7597000    


%chk=000053361-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053361

0 1
Cl -2.050654 -3.910847 -2.359696
O -0.703796 1.020474 -0.090848
N 3.033418 1.111969 -0.142024
N 6.041306 0.058891 -0.428063
C 3.484333 1.568965 1.194144
C 3.992003 1.329848 -1.254020
C 4.990143 1.349521 1.461550
C 4.965770 0.146841 -1.443098
C 5.557549 -0.004633 0.977111
C 1.633862 1.490019 -0.430423
C 0.635148 0.690289 0.423823
C 6.972977 -1.044584 -0.744108
C -1.797487 0.443619 0.709656
C -1.804927 -1.085215 0.619164
C -3.105053 1.087471 0.234658
C -1.919635 -1.706755 -0.650494
C -1.678740 -1.884985 1.778657
C -4.347029 0.562865 0.674070
C -3.094688 2.231565 -0.598656
C -1.908665 -3.108211 -0.723743
C -1.677741 -3.296167 1.680506
C -5.559859 1.175245 0.290371
C -4.310340 2.839302 -0.988739
C -1.792665 -3.924724 0.420771
C -5.546185 2.317428 -0.544077
H 2.904497 1.012826 1.957688
H 3.252928 2.656241 1.348961
H 4.571155 2.275262 -1.149310
H 3.408536 1.415881 -2.189542
H 5.143094 1.441847 2.554674
H 5.597061 2.142747 0.988201
H 4.345317 -0.785699 -1.473264
H 5.460541 0.253305 -2.430201
H 6.434784 -0.262940 1.600330
H 4.797181 -0.812721 1.123901
H 1.410318 1.259554 -1.487475
H 1.439525 2.581910 -0.278598
H 0.691042 0.966869 1.499219
H 0.844017 -0.393516 0.323563
H 6.497082 -2.057964 -0.708966
H 7.816019 -1.038876 -0.029803
H 7.385663 -0.902590 -1.759740
H -1.634648 0.718493 1.779074
H -2.009745 -1.093136 -1.551876
H -1.579470 -1.405470 2.760107
H -4.367098 -0.331593 1.308243
H -2.133813 2.628017 -0.936702
H -1.582311 -3.912070 2.581094
H -6.512817 0.759376 0.636695
H -4.291156 3.721551 -1.638883
H -1.789598 -5.014690 0.329331
H -6.487147 2.791198 -0.845812


