%chk=000064078.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064078

0 1
 Br   5.888300       1.007500      0.4663000    
 F    2.302000      -2.873400      0.5581000    
 F   0.4597000      -1.955500       1.241700    
 F   0.7872000      -2.277900     -0.8837000    
 O  -0.5733000      0.8712000       1.930700    
 N  -0.1414000      0.4884000     -0.3532000    
 N   -1.965200     -2.4000001E-03  -1.800100    
 C    1.278400      0.5940000     -0.1572000    
 C  -0.6996000      0.2043000      -1.601900    
 C   -2.405600      0.4367000      0.5635000    
 C  -0.9589000      0.6410000      0.7868000    
 C    2.035900     -0.5328000      0.1405000    
 C   -2.843900      9.9200003E-02 -0.7170000    
 C    1.879000       1.842700     -0.2703000    
 C    3.412600     -0.4095000      0.3278000    
 C   -3.314400      0.5545000       1.621900    
 C   0.1738000      0.1810000      -2.839700    
 C    1.409300      -1.883700      0.2641000    
 C   -4.209800     -0.1204000     -0.9296000    
 C    3.255800       1.966000     -8.2900003E-02
 C    4.022500      0.8399000      0.2161000    
 C   -4.672300      0.3338000       1.396400    
 C   -5.120300     -4.6000001E-03  0.1218000    
 H    1.290400       2.726000     -0.5032000    
 H    4.015800      -1.283700      0.5604000    
 H   -2.985300      0.8134000       2.624300    
 H   0.9864000     -0.5396000      -2.721300    
 H   0.6035000       1.174100      -2.999800    
 H  -0.4116000     -9.4599999E-02  -3.721600    
 H   -4.574400     -0.3803000      -1.920600    
 H    3.715500       2.946800     -0.1741000    
 H   -5.380500      0.4241000       2.214900    
 H   -6.178000     -0.1767000     -5.4800000E-02


%chk=000064078-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000064078

0 1
Br 5.937495 1.148432 0.505279
F 2.484429 -2.902803 0.649436
F 0.469925 -2.050867 1.223696
F 0.956298 -2.432007 -0.954445
O -0.444880 0.881946 1.914745
N -0.175637 0.407711 -0.372673
N -2.040568 0.069921 -1.854597
C 1.256767 0.547072 -0.185814
C -0.739459 0.191704 -1.660390
C -2.428863 0.422223 0.576140
C -0.987317 0.594336 0.812123
C 2.079816 -0.564267 0.138613
C -2.906521 0.158362 -0.747140
C 1.833142 1.829595 -0.285203
C 3.466571 -0.382863 0.340634
C -3.339447 0.520091 1.660500
C 0.195172 0.117395 -2.842324
C 1.507295 -1.954953 0.272899
C -4.302453 -0.007179 -0.960107
C 3.216098 2.022295 -0.086497
C 4.019665 0.906392 0.222879
C -4.715399 0.351514 1.435839
C -5.194494 0.086887 0.121127
H 1.186320 2.684584 -0.503944
H 4.095870 -1.239530 0.591852
H -2.938241 0.722986 2.658729
H 0.903121 -0.724359 -2.749240
H 0.788555 1.042760 -2.955411
H -0.416743 -0.029330 -3.743407
H -4.647709 -0.207643 -1.978609
H 3.652891 3.021557 -0.162158
H -5.421182 0.421513 2.270031
H -6.268918 -0.043976 -0.048264


