%chk=000049951.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049951

0 1
 Cl  -1.653100      -2.874800      0.1123000    
 Cl -0.9531000       2.443300     -0.9099000    
 O   0.9545000     -0.1535000       1.446700    
 N    3.403800     -9.3999999E-03  0.1849000    
 N  -6.6200003E-02 -0.4268000     -0.6498000    
 N   -5.479200      0.4979000      0.4543000    
 C    2.301300     -0.7054000     -0.4775000    
 C    3.181300       1.435800      0.1655000    
 C    4.675700     -0.3395000     -0.4572000    
 C    1.001500     -0.3956000      0.2449000    
 C    4.328400       2.150200      0.8539000    
 C    4.928400      -1.832800     -0.3786000    
 C   -1.433800     -0.1932000     -0.3707000    
 C   -2.249200      -1.256900     -9.9999998E-03
 C   -1.939400       1.096000     -0.4623000    
 C   -4.116300      0.2650000      0.1762000    
 C   -3.597200      -1.026500      0.2649000    
 C   -3.287400       1.326300     -0.1875000    
 H    2.234000     -0.4268000      -1.536700    
 H    2.395300      -1.794400     -0.4114000    
 H    2.272500       1.719600      0.7047000    
 H    3.077500       1.816400     -0.8590000    
 H    5.517600      0.1220000      6.8000004E-02
 H    4.711200     -6.8000001E-03  -1.502100    
 H    4.579100       1.692800       1.817300    
 H    5.228500       2.201800      0.2333000    
 H    4.039600       3.188100       1.056900    
 H    4.760600      -2.224500      0.6308000    
 H    4.318800      -2.400900      -1.088000    
 H    5.973400      -2.040700     -0.6363000    
 H   9.9399999E-02 -0.8642000      -1.554000    
 H   -4.247200      -1.851600      0.5488000    
 H   -3.696400       2.332300     -0.2557000    
 H   -5.856500       1.434000      0.3894000    
 H   -6.081000     -0.2711000      0.7174000    


%chk=000049951-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049951

0 1
Cl -1.899723 -2.754372 -1.299190
Cl -0.791580 2.515176 0.180027
O 0.828759 -0.162744 1.299725
N 3.452711 0.030598 -0.068175
N -0.083875 -0.332524 -0.846507
N -5.506714 0.402871 0.754126
C 2.324232 -0.744845 -0.593702
C 3.336142 1.485325 -0.355090
C 4.770607 -0.549021 -0.427930
C 0.980006 -0.373900 0.070568
C 4.160506 2.355886 0.611717
C 5.061628 -1.890869 0.272127
C -1.440775 -0.130249 -0.466079
C -2.416967 -1.151808 -0.595499
C -1.919040 1.096431 0.065417
C -4.187168 0.230558 0.348159
C -3.758319 -1.004016 -0.220228
C -3.243499 1.289437 0.482082
H 2.220602 -0.657556 -1.711885
H 2.496251 -1.815324 -0.375004
H 2.272264 1.761972 -0.239904
H 3.618823 1.716097 -1.415457
H 5.542671 0.177009 -0.118152
H 4.877638 -0.671414 -1.538744
H 3.864593 2.134289 1.651066
H 5.247938 2.183879 0.515449
H 3.975252 3.427358 0.410121
H 4.937290 -1.780178 1.363026
H 4.393003 -2.702206 -0.069022
H 6.098818 -2.211799 0.062482
H 0.112940 -0.592114 -1.816382
H -4.458728 -1.834100 -0.350257
H -3.547257 2.255876 0.895178
H -5.811997 1.275036 1.175694
H -6.180633 -0.352660 0.673747


