%chk=000046817.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046817

0 1
 Cl   2.953000       1.291700       2.361300    
 Cl   2.107300     -0.7343000      -2.659200    
 O  -0.1401000      0.4133000      0.2185000    
 O  -0.2511000       2.553500     -0.6241000    
 N   -3.939600      -1.150400     -0.3922000    
 C   -3.467600      -1.176100      0.9972000    
 C   -3.776600      0.2524000     -0.7913000    
 C   -4.289700     -1.3100000E-02   1.568500    
 C   -4.494800      0.9369000      0.3795000    
 C   -1.954500     -0.9045000       1.105400    
 C   -2.295000      0.6702000     -0.8662000    
 C   -1.544200      0.4192000      0.4484000    
 C   -3.348800      -2.134200      -1.280300    
 C   0.3825000       1.551100     -0.3256000    
 C    1.857300       1.404200     -0.4900000    
 C    2.589600      0.1807000     -0.1196000    
 C    2.522700       2.442000      -1.021800    
 C    3.118500      5.6899998E-02   1.159800    
 C    2.745100     -0.8367000      -1.053700    
 C    3.812900      -1.101100       1.510100    
 C    3.439700      -1.994600     -0.7033000    
 C    3.973400      -2.126700      0.5787000    
 H   -3.722100      -2.115300       1.500100    
 H   -4.282400      0.4705000      -1.738100    
 H   -3.797300      0.4848000       2.410100    
 H   -5.266500     -0.3686000       1.919500    
 H   -5.568100       1.028800      0.1714000    
 H   -4.111300       1.941200      0.5876000    
 H   -1.654900     -0.8826000       2.161200    
 H   -1.385200      -1.733900      0.6672000    
 H   -1.794600      0.1558000      -1.696200    
 H   -2.284100       1.732500      -1.129700    
 H   -1.764600       1.230500       1.155000    
 H   -2.265100      -2.043500      -1.397100    
 H   -3.799200      -2.058600      -2.276100    
 H   -3.561900      -3.144900     -0.9152000    
 H    2.028300       3.361300      -1.318200    
 H    3.597100       2.402800      -1.178500    
 H    4.235300      -1.221200       2.504500    
 H    3.574300      -2.804100      -1.416400    
 H    4.514000      -3.028400      0.8515000    


%chk=000046817-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046817

0 1
Cl 3.389610 0.943052 2.525987
Cl 1.681571 -0.160311 -2.697493
O -0.109688 0.564067 0.239060
O -0.165102 2.854447 -0.226039
N -3.863578 -1.351102 -0.221585
C -3.486828 -0.968752 1.170402
C -3.718485 -0.065519 -0.964084
C -4.382858 0.288089 1.384586
C -4.538781 0.897684 -0.054909
C -1.963486 -0.626994 1.282471
C -2.220042 0.370657 -1.071922
C -1.614399 0.535449 0.338678
C -3.255501 -2.558019 -0.799381
C 0.475561 1.784454 -0.076204
C 1.970088 1.651153 -0.189783
C 2.590993 0.293305 -0.088221
C 2.702817 2.779794 -0.376308
C 3.276197 -0.152119 1.071875
C 2.535608 -0.637184 -1.158139
C 3.870681 -1.425033 1.174159
C 3.114595 -1.917785 -1.102205
C 3.786901 -2.308900 0.076836
H -3.732402 -1.787848 1.870095
H -4.148339 -0.159907 -1.977639
H -3.930517 0.998153 2.100391
H -5.364068 -0.015794 1.785319
H -5.597242 0.895040 -0.363753
H -4.169228 1.936687 -0.119995
H -1.701148 -0.363477 2.323728
H -1.361417 -1.513481 1.006377
H -1.647746 -0.398048 -1.625791
H -2.132756 1.319325 -1.631277
H -1.921390 1.507188 0.766192
H -2.145304 -2.528200 -0.916279
H -3.691687 -2.738326 -1.798803
H -3.502222 -3.426974 -0.162413
H 2.197083 3.749570 -0.442763
H 3.793312 2.751278 -0.461967
H 4.383618 -1.716436 2.094437
H 3.043152 -2.590383 -1.960931
H 4.244125 -3.301298 0.139992


