%chk=000158667.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158667

0 1
 Br   3.251600      -1.740000      -1.982100    
 F   -1.254000      -3.495200      0.5198000    
 F  -7.8400001E-02  -2.922700      -1.210600    
 F   0.6215000      -2.427700      0.7878000    
 F   0.6940000       1.618200       1.159600    
 F    5.251400      0.7780000       2.105500    
 O   -1.346000       3.430400      -1.098800    
 O   0.5041000       2.314800      -1.487800    
 O   -5.112600     -0.8803000       1.267200    
 O   -5.179500       1.259300      0.7805000    
 N   0.7435000     -9.5200002E-02 -0.9977000    
 N  -0.6799000       2.369200      -1.081400    
 N   -4.571800      0.1625000      0.8262000    
 C  -0.5943000     -2.4599999E-02 -0.5401000    
 C   -1.216600      -1.171000     -4.6000000E-02
 C   -1.289700       1.183900     -0.5818000    
 C    1.912400      0.1135000     -0.2183000    
 C   -2.534500      -1.108900      0.4065000    
 C   -2.607800       1.245900     -0.1292000    
 C   -3.230200      9.9500000E-02  0.3649000    
 C   0.9010000     -0.1416000      -2.458000    
 C  -0.4976000      -2.479800      1.0200000E-02
 C    3.103800     -0.5378000     -0.5206000    
 C    1.839100      0.9875000      0.8619000    
 C    4.234200     -0.3126000      0.2652000    
 C    2.969500       1.212400       1.647700    
 C    4.166800      0.5624000       1.349500    
 H   -3.008000      -2.009500      0.7892000    
 H   -3.153900       2.185900     -0.1596000    
 H    1.785600      0.3892000      -2.828900    
 H   5.9200000E-02  0.3562000      -2.961200    
 H   0.8320000      -1.166200      -2.837100    
 H    5.176200     -0.8099000      4.9199998E-02
 H    2.916900       1.893400       2.492000    


%chk=000158667-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158667

0 1
Br 3.024394 -2.031001 -2.242364
F -0.982631 -3.157006 1.226242
F 0.525133 -2.686799 -0.379800
F 0.755806 -1.809989 1.706131
F 0.962812 1.519165 1.258792
F 5.374165 -0.179546 2.082484
O -2.018087 2.986490 -2.345580
O -0.018716 2.974904 -1.248935
O -5.023794 -1.014899 1.511233
O -5.505724 0.856471 0.288364
N 0.735327 0.145604 -1.150143
N -1.149621 2.438426 -1.562300
N -4.693250 -0.048391 0.721073
C -0.553385 0.135124 -0.588792
C -1.037257 -0.926326 0.272197
C -1.524096 1.147711 -0.922748
C 1.905490 -0.042859 -0.337457
C -2.372896 -0.956642 0.706287
C -2.874176 1.081242 -0.543415
C -3.285084 0.026206 0.279812
C 0.962358 0.691895 -2.516180
C -0.196043 -2.113415 0.690996
C 3.024180 -0.857789 -0.682249
C 2.035819 0.711638 0.866371
C 4.185102 -0.900770 0.116701
C 3.160066 0.689415 1.696976
C 4.224683 -0.126981 1.287715
H -2.736446 -1.769084 1.339790
H -3.575993 1.863201 -0.844464
H 1.344491 1.726574 -2.480242
H 0.018204 0.668187 -3.083588
H 1.682907 0.048645 -3.041980
H 5.033850 -1.534137 -0.149217
H 3.200409 1.283936 2.611990


