%chk=000050590.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050590

0 1
 Cl  -3.694900       2.122600       1.391900    
 O    3.427400       1.346900     -0.1503000    
 O    1.074000      -2.874100      0.3373000    
 O    2.926800     -0.5773000      -1.292600    
 N   0.5196000     -0.5494000      0.2539000    
 C   -1.062300      -2.348300     -0.4050000    
 C   -1.582700      -3.691600     -3.5999998E-02
 C   -2.164800      -2.456800      0.5873000    
 C   0.2984000      -1.956600      8.7800004E-02
 C    1.744200     -9.7000003E-03  0.7608000    
 C    1.599200       1.394700       1.297200    
 C    2.971900       1.970000       1.056400    
 C  -0.5201000      0.3872000     -0.1867000    
 C    2.731100      0.1852000     -0.3590000    
 C   -1.471400      0.7392000      0.7198000    
 C  -0.4540000      0.8352000      -1.469500    
 C   -2.458500       1.631000      0.3001000    
 C   -1.441000       1.726800      -1.889200    
 C   -2.443100       2.124900      -1.004500    
 H   -1.307000      -2.019000      -1.410100    
 H   -1.003700      -4.343700      0.6060000    
 H   -2.187300      -4.218000     -0.7651000    
 H   -3.157800      -2.155700      0.2766000    
 H   -1.952700      -2.283000       1.635200    
 H    2.192300     -0.6898000       1.493900    
 H    1.311300       1.423500       2.352600    
 H   0.9081000       2.044100      0.7539000    
 H    2.949300       3.055500      0.9237000    
 H    3.673300       1.723900       1.860700    
 H   -1.467200      0.3515000       1.733800    
 H   0.3213000      0.5234000      -2.160500    
 H   -1.429700       2.110200      -2.905400    
 H   -3.205900       2.820200      -1.345400    


%chk=000050590-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050590

0 1
Cl -3.794803 2.720559 0.957451
O 3.410599 1.554102 -0.153304
O 0.855329 -2.496772 1.145173
O 2.555408 0.139787 -1.783089
N 0.349041 -0.420186 0.214472
C -1.321439 -2.259999 0.114059
C -1.423585 -3.768231 -0.220271
C -2.031269 -3.251277 1.072269
C 0.021186 -1.756953 0.531340
C 1.695588 0.041533 0.584468
C 1.778799 1.205738 1.601192
C 3.177193 1.791993 1.310775
C -0.594516 0.510735 -0.368845
C 2.552761 0.534078 -0.607159
C -1.590264 1.087161 0.461426
C -0.526380 0.846288 -1.743480
C -2.507271 1.988091 -0.108786
C -1.457964 1.761898 -2.281772
C -2.461529 2.342259 -1.471360
H -1.956141 -1.581715 -0.457809
H -0.492117 -4.334423 -0.142417
H -2.085295 -4.044930 -1.045278
H -3.118302 -3.167783 1.155076
H -1.499099 -3.482013 1.998890
H 2.192511 -0.862908 0.997908
H 1.676598 0.863295 2.643276
H 0.993624 1.953726 1.393380
H 3.258769 2.877707 1.467201
H 3.978331 1.269356 1.862649
H -1.643627 0.820026 1.521034
H 0.247871 0.391045 -2.367394
H -1.409091 2.023749 -3.343681
H -3.186815 3.047063 -1.887794


