%chk=000137870.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000137870

0 1
 Br   6.433100      0.9664000      0.5245000    
 O   0.2014000     -0.9329000     -0.5875000    
 C    2.549500     -0.6374000     -0.1225000    
 C    3.704900      0.3622000     -1.8800000E-02
 C    1.241200      3.2600001E-02 -0.5239000    
 C    5.001500     -0.3412000      0.3463000    
 C   -1.067900     -0.4951000     -0.3101000    
 C   -3.641400      0.3915000      0.2535000    
 C   -1.988700      -1.370500      0.2536000    
 C   -1.420000      0.8190000     -0.5950000    
 C   -3.280100     -0.9257000      0.5362000    
 C   -2.711500       1.263900     -0.3121000    
 C   -5.021900      0.8671000      0.5558000    
 H    2.791200      -1.419800     -0.8530000    
 H    2.412400      -1.155100      0.8354000    
 H    3.462500       1.122000      0.7347000    
 H    3.821200      0.8895000     -0.9739000    
 H    1.027500      0.8071000      0.2246000    
 H    1.351500      0.5033000      -1.507900    
 H    4.930800     -0.8573000       1.307800    
 H    5.315900      -1.048200     -0.4262000    
 H   -1.710700      -2.396800      0.4759000    
 H  -0.7358000       1.521100      -1.061300    
 H   -3.995000      -1.614300      0.9786000    
 H   -2.983000       2.291000     -0.5410000    
 H   -5.335400       1.644500     -0.1493000    
 H   -5.748000      5.0799999E-02  0.4755000    
 H   -5.064700       1.275800       1.570300    


%chk=000137870-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000137870

0 1
Br 6.786153 0.724580 -0.464416
O 0.264490 -0.802988 0.262473
C 2.658493 -0.599506 0.112943
C 3.871618 0.310815 -0.209587
C 1.335667 0.157788 -0.040139
C 5.183757 -0.458404 -0.044108
C -1.064720 -0.342846 0.193650
C -3.827276 0.373895 0.117076
C -2.059214 -1.307873 0.490106
C -1.443069 0.978733 -0.141568
C -3.418049 -0.947419 0.450398
C -2.816957 1.319438 -0.175213
C -5.300017 0.745661 0.078137
H 2.644065 -1.476759 -0.561665
H 2.729237 -0.986313 1.147348
H 3.874143 1.192168 0.459783
H 3.794907 0.691179 -1.245909
H 1.284592 1.014966 0.664214
H 1.215980 0.542845 -1.074977
H 5.351917 -0.796542 0.990178
H 5.272667 -1.304962 -0.742700
H -1.744923 -2.324382 0.746807
H -0.695757 1.743106 -0.374611
H -4.177836 -1.704228 0.682031
H -3.100731 2.346459 -0.435528
H -5.441264 1.809716 -0.179276
H -5.849642 0.144429 -0.670953
H -5.787733 0.569943 1.055705


