%chk=000063471.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063471

0 1
 Cl   6.221200     -0.8970000     -0.1057000    
 F   -5.175500      -1.957400     -1.0000000E-03
 O  -0.1636000      -1.904100      0.1009000    
 N   0.4254000      0.3764000      6.3199997E-02
 N   -1.303900       2.007400     -3.8300000E-02
 C   -1.904000     -0.3605000      4.2500000E-02
 C  -4.7499999E-02   1.690500      3.2000002E-02
 C  -0.4698000     -0.7141000      9.2000000E-02
 C   -2.258600      0.9857000     -4.5499999E-02
 C    1.828500      6.8200000E-02  2.2200000E-02
 C   -2.885700      -1.358500      5.7599999E-02
 C   -3.614500       1.325800     -0.1182000    
 C   0.9199000       2.851400      0.1419000    
 C    2.462600     -8.1400000E-02  -1.204700    
 C    2.534200     -7.6600000E-02   1.210200    
 C   -4.232600      -1.006100     -1.4700000E-02
 C   -4.597400      0.3351000     -0.1038000    
 C    3.824400     -0.3808000      -1.244400    
 C    3.895900     -0.3759000       1.170500    
 C    4.541100     -0.5280000     -5.6699999E-02
 H   -2.622700      -2.410500      0.1225000    
 H   -3.914100       2.369200     -0.1831000    
 H    1.627100       2.825900     -0.6916000    
 H    1.474800       2.781200       1.081500    
 H   0.3856000       3.805600      0.1188000    
 H    1.912100      3.1800002E-02  -2.134700    
 H    2.039500      4.0500000E-02   2.170600    
 H   -5.646400      0.6102000     -0.1602000    
 H    4.314000     -0.4964000      -2.208000    
 H    4.441700     -0.4875000       2.103900    


%chk=000063471-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063471

0 1
Cl 6.336677 -0.867821 0.018137
F -5.257751 -1.988763 -0.002727
O -0.059420 -1.929501 0.019830
N 0.394912 0.380250 0.008854
N -1.348110 2.043924 0.001194
C -1.929546 -0.372861 0.005609
C -0.063582 1.722038 0.005268
C -0.502661 -0.747140 0.012421
C -2.301518 1.009717 -0.000294
C 1.820713 0.080124 0.011100
C -2.918215 -1.389720 0.005073
C -3.682538 1.356724 -0.007083
C 0.968334 2.823205 0.011165
C 2.511674 -0.042094 -1.213834
C 2.494527 -0.105113 1.237627
C -4.257590 -0.998615 -0.001853
C -4.666381 0.356665 -0.007980
C 3.893458 -0.331213 -1.217975
C 3.876121 -0.394880 1.245991
C 4.554182 -0.498287 0.015212
H -2.620056 -2.441981 0.009858
H -3.948028 2.417356 -0.011368
H 1.622763 2.776991 -0.877510
H 1.625128 2.763536 0.897490
H 0.435414 3.784312 0.018660
H 1.972384 0.074031 -2.159379
H 1.942166 -0.036934 2.180182
H -5.732840 0.599547 -0.013174
H 4.440998 -0.430587 -2.159137
H 4.410487 -0.542812 2.188345


