%chk=000031068.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031068

0 1
 Cl   2.897600      -3.048100       1.699400    
 Cl   2.739100      -3.867900      -1.427100    
 O   -3.969400      0.3096000     -7.5199999E-02
 O  -0.7620000       2.804900       1.103100    
 O   -2.632900      -1.533000     -0.3978000    
 N  -0.6764000      0.4487000      0.7314000    
 C   -1.979500      0.1122000       1.245200    
 C   0.1771000     -0.6230000      0.2113000    
 C   -1.854100     -0.8556000       2.411600    
 C  -0.1879000       1.789600      0.7115000    
 C   -2.880000     -0.4721000      0.1671000    
 C    1.156400       2.008700      0.1443000    
 C    1.016000      -1.238700       1.088700    
 C   6.8200000E-02 -0.9251000      -1.111300    
 C    1.827700      -2.259300      0.5937000    
 C   0.8799000      -1.945700      -1.606400    
 C    1.286600       2.270500      -1.208900    
 C    2.259400       1.949200      0.9790000    
 C    1.759700      -2.612700     -0.7539000    
 C   -4.874300     -0.1757000      -1.072500    
 C    2.557800       2.479200      -1.743500    
 C    3.530700       2.157800      0.4442000    
 C    3.680000       2.422900     -0.9170000    
 C   -6.019900      0.8034000      -1.217100    
 H   -2.451700       1.028600       1.619700    
 H   -2.833200     -0.9991000       2.883700    
 H   -1.514300      -1.850800       2.106000    
 H   -1.171300     -0.4736000       3.178200    
 H    1.066300     -0.9478000       2.133400    
 H  -0.6035000     -0.3986000      -1.780900    
 H   0.8163000      -2.205500      -2.660100    
 H   0.4174000       2.318700      -1.858700    
 H    2.151500       1.746000       2.040700    
 H   -4.346600     -0.2720000      -2.028000    
 H   -5.260500      -1.155200     -0.7694000    
 H    2.674000       2.685700      -2.803400    
 H    4.404400       2.114000       1.087900    
 H    4.669800       2.585200      -1.333300    
 H   -6.732400      0.4628000      -1.973500    
 H   -6.546000      0.9243000     -0.2645000    
 H   -5.647300       1.792900      -1.502200    


%chk=000031068-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000031068

0 1
Cl 3.621200 -2.615808 1.781177
Cl 2.844748 -4.591160 -0.737782
O -4.169558 0.357733 0.010755
O -0.645208 2.521650 1.286638
O -2.492185 0.178243 -1.590873
N -0.507663 0.330163 0.493736
C -1.940793 0.155044 0.854251
C 0.298661 -0.822599 0.180360
C -2.221040 -1.109599 1.697907
C 0.027666 1.627481 0.682852
C -2.847000 0.224098 -0.389888
C 1.386342 1.943341 0.122291
C 1.412831 -1.134338 0.998725
C -0.034217 -1.672815 -0.903841
C 2.197378 -2.268237 0.716704
C 0.744214 -2.818159 -1.164161
C 1.816026 1.483551 -1.149791
C 2.207540 2.837024 0.856679
C 1.864030 -3.118132 -0.359920
C -5.191450 0.456579 -1.083139
C 3.063200 1.896444 -1.665277
C 3.462219 3.231746 0.348095
C 3.894766 2.759508 -0.913877
C -6.545041 0.631193 -0.404261
H -2.188299 1.045957 1.463514
H -3.281682 -1.113732 1.996984
H -2.007133 -2.039714 1.144621
H -1.597915 -1.095396 2.608550
H 1.669766 -0.495945 1.848476
H -0.874923 -1.411726 -1.552446
H 0.497181 -3.475943 -2.002747
H 1.170303 0.829439 -1.743451
H 1.841937 3.222773 1.813994
H -4.921322 1.313889 -1.725036
H -5.133672 -0.464098 -1.691462
H 3.384383 1.547603 -2.652704
H 4.096938 3.911197 0.927165
H 4.866895 3.069717 -1.313120
H -7.338044 0.709794 -1.170090
H -6.775906 -0.229245 0.246731
H -6.562476 1.547877 0.209058


