%chk=000042479.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042479

0 1
 Br   5.059900       1.141000      0.1127000    
 Cl   3.914400      -1.257900      -1.307600    
 S   0.7888000     -0.2490000     -0.5926000    
 F    2.081700       1.679300      0.6165000    
 F    2.592400     -0.3335000       1.279000    
 O   -2.364900      -2.216200      -1.047500    
 O   -1.445300      -2.888900      0.9126000    
 O   -3.270900       1.928600       1.001200    
 N   -2.414700      0.3169000     -0.4446000    
 C   -1.772500     -0.5150000      0.5422000    
 C  -0.3426000     -4.6700001E-02  0.8234000    
 C    2.299400      0.4114000      0.1785000    
 C   -1.838800      -1.989400      0.1799000    
 C    3.485300      0.3841000     -0.7775000    
 C   -3.111900       1.472500     -0.1281000    
 C   -3.660300       2.162800      -1.348000    
 H   -2.355000     -0.4135000       1.467100    
 H   6.7299999E-02 -0.6230000       1.660000    
 H  -0.3479000       1.010100       1.111800    
 H   -2.325600      4.9600001E-02  -1.421000    
 H    3.322300       1.016000      -1.655900    
 H   -4.384400       2.924500      -1.045700    
 H   -2.842200       2.639500      -1.894700    
 H   -4.162900       1.442000      -1.999400    
 H   -2.391800      -3.172600      -1.264100    


%chk=000042479-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042479

0 1
Br 4.825932 -1.121044 -0.256307
Cl 3.195130 0.510782 -2.453331
S 0.723819 1.099126 -0.352906
F 2.256126 -0.312781 1.417145
F 1.659654 -1.486573 -0.438162
O -1.436295 -2.119201 -0.686404
O -0.764853 -2.255251 1.537946
O -3.328167 2.103678 0.645548
N -2.391663 0.321676 -0.494823
C -1.680229 -0.137994 0.698427
C -0.477230 0.769813 1.081296
C 2.052924 -0.182457 0.001805
C -1.247742 -1.598177 0.596817
C 3.399571 0.226828 -0.623549
C -3.203520 1.442889 -0.433968
C -3.917037 1.823301 -1.723592
H -2.370167 -0.061629 1.564844
H 0.088658 0.350845 1.927573
H -0.866332 1.767191 1.340543
H -2.281213 -0.222668 -1.352154
H 3.743797 1.173132 -0.187829
H -5.002744 1.870917 -1.532850
H -3.596215 2.833615 -2.031250
H -3.728126 1.120906 -2.552965
H -1.074279 -3.044324 -0.733656


