%chk=000158665.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158665

0 1
 Br   3.097600      0.5283000       3.341900    
 Br   6.047000      0.2826000       1.545100    
 F   -1.387900      -3.471300      0.1207000    
 F  -0.3550000      -2.779600      -1.656500    
 F   0.5605000      -2.522400      0.2990000    
 O   -1.254500       3.579900     -0.8032000    
 O   0.4853000       2.427300      -1.483800    
 O   -5.006800     -0.7745000       1.504900    
 O   -5.002500       1.404300       1.236600    
 N   0.6379000     -2.8400000E-02  -1.255800    
 N  -0.6493000       2.493400     -0.9560000    
 N   -4.454500      0.2822000       1.114200    
 C  -0.6436000      5.5599999E-02 -0.6601000    
 C   -1.277500      -1.105700     -0.2187000    
 C   -1.272300       1.292300     -0.5141000    
 C    1.886200      4.6999998E-02 -0.5826000    
 C   -2.540200      -1.030500      0.3691000    
 C   -2.535200       1.367400      7.3700003E-02
 C   -3.169100      0.2060000      0.5153000    
 C   0.7166000     -0.4832000      -2.651200    
 C  -0.6295000      -2.444700     -0.3624000    
 C    1.915600      0.2195000      0.7963000    
 C    3.066000     -5.2900001E-02  -1.310800    
 C    3.142200      0.2931000       1.456400    
 C    4.292400      2.0700000E-02 -0.6508000    
 C    4.330600      0.1936000      0.7328000    
 H   -3.023300      -1.943200      0.7090000    
 H   -3.029300       2.329200      0.1899000    
 H  -0.2860000     -0.6341000      -3.072200    
 H    1.247400      -1.437000      -2.751000    
 H    1.187700      0.2752000      -3.287700    
 H   0.9985000      0.2984000       1.373900    
 H    3.108700     -0.1742000      -2.387500    
 H    5.207300     -5.6000002E-02  -1.233200    


%chk=000158665-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158665

0 1
Br 3.040231 0.745047 3.412799
Br 5.890116 1.563227 1.552775
F -2.027671 -3.617221 0.043821
F -1.461124 -3.130330 -2.086971
F 0.119598 -3.133658 -0.454310
O -0.104735 3.226628 0.221751
O 0.509247 2.256209 -1.750960
O -5.212847 -0.419975 1.265472
O -4.630355 1.778225 1.518719
N 0.728204 -0.503856 -1.225319
N -0.108472 2.250801 -0.618974
N -4.389442 0.567387 1.141656
C -0.544891 -0.259311 -0.676670
C -1.510696 -1.304420 -0.449838
C -0.941245 1.063302 -0.279134
C 1.900488 0.004439 -0.593528
C -2.765019 -1.021861 0.122755
C -2.165758 1.347554 0.338350
C -3.075696 0.291647 0.521462
C 0.849021 -1.071651 -2.587880
C -1.213470 -2.761928 -0.726692
C 1.934065 0.133668 0.821783
C 3.063756 0.324472 -1.340867
C 3.093102 0.599490 1.470784
C 4.223343 0.771742 -0.681686
C 4.251690 0.922338 0.722663
H -3.491863 -1.816029 0.312217
H -2.423385 2.367603 0.636166
H -0.105951 -1.514050 -2.900916
H 1.627696 -1.851685 -2.614264
H 1.096426 -0.266484 -3.305627
H 1.071023 -0.159481 1.425482
H 3.071879 0.251497 -2.430164
H 5.113734 1.024962 -1.263655


