%chk=000116829.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116829

0 1
 Cl   5.081000       1.909200      0.9539000    
 S   -4.673100      -1.948000      0.2321000    
 F    6.565800     -0.5459000      0.3453000    
 F    2.999200      -3.052100      -1.061900    
 O   -3.958500       3.004600     -0.6753000    
 O   -5.088900      -1.985500       1.812700    
 O   -5.892900      -1.699700     -0.5222000    
 O   -3.852800      -3.116200     -4.6999998E-02
 N    2.190200       1.319500      0.3061000    
 N    2.577500     -0.9048000     -0.3942000    
 N    4.802900      -1.828800     -0.3655000    
 C   -1.417900      0.4381000      0.1016000    
 C   -1.980300       1.699400     -0.2080000    
 C   -3.640800     -0.5495000      6.3000001E-02
 C   -2.261900     -0.6765000      0.2338000    
 C  -2.7799999E-02  0.3287000      0.2700000    
 C   0.7957000       1.446700      0.1351000    
 C   -3.370200       1.808800     -0.3765000    
 C   -1.136200       2.813900     -0.3402000    
 C   -4.193800      0.6908000     -0.2415000    
 C   0.2426000       2.686900     -0.1694000    
 C    3.085400      0.2559000      8.0899999E-02
 C    4.430400      0.4386000      0.3510000    
 C    5.247800     -0.6461000      0.1072000    
 C    3.476600      -1.887900     -0.5910000    
 H   -1.829300      -1.644200      0.4799000    
 H   0.3795000     -0.6390000      0.5496000    
 H   -1.509600       3.802200     -0.5926000    
 H   -5.266900      0.8065000     -0.3701000    
 H   0.8741000       3.564700     -0.2816000    
 H    2.661500       2.217800      0.3820000    
 H   -3.427200       3.738700     -0.3301000    
 H   -5.596400      -1.203800       2.135100    


%chk=000116829-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116829

0 1
Cl 5.237249 2.129446 -0.027577
S -4.809646 -1.896689 0.006686
F 6.713573 -0.544594 0.148731
F 2.976616 -3.275991 0.239830
O -4.058443 3.219317 -0.239187
O -4.995834 -1.930265 1.854552
O -6.241115 -1.522767 -0.645610
O -4.013965 -3.226066 -0.457885
N 2.263258 1.350557 -0.034444
N 2.606924 -1.009354 0.104006
N 4.850176 -1.929939 0.195055
C -1.430623 0.488332 -0.048778
C -1.994727 1.821698 -0.122244
C -3.667303 -0.412208 -0.031927
C -2.301399 -0.648672 -0.000472
C -0.011485 0.306558 -0.018666
C 0.842333 1.416952 -0.059994
C -3.430065 1.974333 -0.157766
C -1.090404 2.931827 -0.163710
C -4.274806 0.860842 -0.108418
C 0.286369 2.740777 -0.133469
C 3.107350 0.268790 0.040831
C 4.532766 0.467802 0.053570
C 5.335703 -0.674652 0.131934
C 3.507359 -1.999569 0.175957
H -1.900315 -1.665630 0.044752
H 0.405951 -0.699587 0.038090
H -1.459522 3.964095 -0.216917
H -5.360249 0.981627 -0.147404
H 0.956357 3.608917 -0.164439
H 2.744205 2.255129 -0.076630
H -3.412054 3.965460 -0.285968
H -5.628533 -2.673478 2.079708


