%chk=000047331.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047331

0 1
 Cl  -4.773400      -2.678300     -1.9000000E-03
 Cl  -2.226500      -3.843800       1.808600    
 O   -2.493800      -1.397600     -9.7199999E-02
 O    2.589200      0.2152000      0.1552000    
 O  -0.8975000      -1.454700      -1.763400    
 O    1.003800     -0.5767000       1.616200    
 N   0.4185000      0.4962000     -0.3563000    
 C   -1.014300      0.4231000     -0.2182000    
 C   -1.700700       1.581700     -0.9454000    
 C   -3.091300       1.859800     -0.4285000    
 C   -1.422100     -0.9194000     -0.7956000    
 C   -3.279000       2.764200      0.6169000    
 C   -4.188800       1.212200     -0.9959000    
 C    1.307200     -9.3999999E-03  0.5718000    
 C   -4.564300       3.020800       1.094700    
 C   -5.473900       1.469000     -0.5182000    
 C   -5.661600       2.373100      0.5270000    
 C    3.621200     -0.2601000       1.026800    
 C   -3.067100      -2.642800     -0.5282000    
 C    4.957500      6.4499997E-02  0.4264000    
 C    5.576800     -0.8458000     -0.4302000    
 C    5.580300       1.276700      0.7240000    
 C   -2.282800      -3.829500      2.5300000E-02
 C    6.818900     -0.5442000     -0.9887000    
 C    6.822300       1.578300      0.1654000    
 C    7.441500      0.6678000     -0.6910000    
 H   -1.238400      0.4319000      0.8558000    
 H   -1.105500       2.498800     -0.8360000    
 H   -1.742800       1.394300      -2.026900    
 H   0.8035000      0.8980000      -1.206200    
 H   -2.431900       3.273100       1.069100    
 H   -4.057100      0.5076000      -1.812700    
 H   -4.710500       3.724200       1.909100    
 H   -6.328200      0.9645000     -0.9600000    
 H   -6.662200       2.572800      0.8993000    
 H    3.522900      0.2155000       2.010700    
 H    3.520800      -1.344100       1.162900    
 H   -3.090100      -2.681900      -1.622700    
 H    5.100600      -1.792500     -0.6716000    
 H    5.106900       1.995000       1.388100    
 H   -1.243000      -3.797000     -0.3123000    
 H   -2.720500      -4.778200     -0.3003000    
 H    7.300800      -1.252800      -1.655900    
 H    7.307000       2.522300      0.3965000    
 H    8.408500      0.9028000      -1.126200    


%chk=000047331-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047331

0 1
Cl -3.966285 -2.113211 -2.995113
Cl -5.903755 -1.337858 -0.225567
O -2.796441 -1.881830 -0.525521
O 2.913185 -1.384889 0.782455
O -0.938837 -3.027920 -1.375966
O 1.358494 0.195828 1.609857
N 0.776571 -1.403825 0.005310
C -0.614182 -0.954661 -0.078087
C -0.772203 0.392238 -0.901832
C -1.908344 1.276780 -0.416774
C -1.410724 -2.073478 -0.724548
C -1.783817 1.941575 0.832812
C -3.084395 1.466152 -1.182046
C 1.652329 -0.776987 0.858301
C -2.815865 2.782560 1.301962
C -4.117640 2.309348 -0.713762
C -3.986225 2.970604 0.528431
C 3.995606 -0.727963 1.597011
C -3.678440 -2.778772 -1.243732
C 4.712101 0.345880 0.807632
C 5.867156 0.028487 0.048769
C 4.235891 1.683031 0.816947
C -4.982674 -2.939336 -0.488728
C 6.535353 1.027350 -0.693845
C 4.902667 2.682286 0.074176
C 6.053405 2.357185 -0.682310
H -0.998325 -0.759527 0.939391
H 0.189152 0.917255 -0.760864
H -0.869493 0.161426 -1.978215
H 1.089661 -2.182335 -0.579910
H -0.870465 1.800288 1.425545
H -3.198492 0.943731 -2.139232
H -2.707323 3.294862 2.264829
H -5.023943 2.444387 -1.314526
H -4.787277 3.624639 0.891441
H 3.528830 -0.322337 2.510906
H 4.659916 -1.571206 1.842576
H -3.183206 -3.749919 -1.418209
H 6.240258 -1.003148 0.038233
H 3.338851 1.925139 1.398077
H -4.777793 -3.343980 0.515268
H -5.660782 -3.601590 -1.045657
H 7.427952 0.772382 -1.275981
H 4.528744 3.712138 0.086898
H 6.571703 3.133820 -1.256103


