%chk=000057412.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057412

0 1
 Br  -3.506300       3.431200      0.2416000    
 O   0.2463000     -0.6992000      -1.828300    
 O  -0.7688000       2.100100     -0.3641000    
 O   -2.225700      -2.449000     -0.3775000    
 N    4.413300     -0.4418000      0.2890000    
 N   0.6882000     -0.8689000      0.4432000    
 C    2.990200     -7.5499997E-02  0.3004000    
 C    2.869400      0.7622000       1.575000    
 C    4.266200       1.321400       1.823000    
 C    5.120100      0.7772000      0.6897000    
 C    2.055800      -1.278500      0.3240000    
 C    4.874800     -0.9255000      -1.006600    
 C    6.362400      -1.210300     -0.9947000    
 C  -0.1208000     -0.6077000     -0.6598000    
 C   -1.509100     -0.1667000     -0.3677000    
 C   -2.501300      -1.119800     -0.2400000    
 C   -1.771300       1.183100     -0.2313000    
 C   -3.805300     -0.7075000      3.4299999E-02
 C   -4.907400      -1.704600      0.1812000    
 C   -3.075300       1.595600      4.2900000E-02
 C   -4.092400      0.6501000      0.1758000    
 C   -5.070100      -2.179300       1.622000    
 C  -0.5327000       2.613300      -1.672300    
 H    2.751400      0.5684000     -0.5589000    
 H    2.138100       1.568700       1.452000    
 H    2.561500      0.1628000       2.440500    
 H    4.638000      0.9709000       2.793100    
 H    4.268200       2.416000       1.838500    
 H    6.137900      0.5834000       1.042600    
 H    5.161800       1.512000     -0.1250000    
 H    2.273500      -1.931500       1.177100    
 H    2.164800      -1.876800     -0.5867000    
 H    4.358700      -1.860000      -1.253400    
 H    4.649500     -0.2115000      -1.808800    
 H   0.3008000     -0.7563000       1.375800    
 H    6.649200      -1.716900      -1.922800    
 H    6.639300      -1.867600     -0.1633000    
 H    6.961600     -0.2965000     -0.9325000    
 H   -4.739700      -2.567300     -0.4748000    
 H   -5.853200      -1.264900     -0.1606000    
 H   -5.110200      0.9674000      0.3919000    
 H   -4.157800      -2.664200       1.985400    
 H   -5.889700      -2.901600       1.691300    
 H   -5.296700      -1.342900       2.292000    
 H   -1.282300      -2.588200     -0.5577000    
 H  -8.4500000E-02   3.605900      -1.573800    
 H   0.1729000       1.968100      -2.202600    
 H   -1.456900       2.704200      -2.252800    


%chk=000057412-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000057412

0 1
Br -4.116714 2.928918 1.682619
O 0.296012 -1.687536 -0.256335
O -1.100677 1.977984 1.427978
O -2.038214 -2.301137 -0.807306
N 4.429527 -0.362518 -0.022403
N 0.822830 0.133360 1.072988
C 3.068659 0.252175 -0.081754
C 3.315089 1.790517 -0.105029
C 4.796092 1.950232 0.332713
C 5.450987 0.686826 -0.260867
C 2.246341 -0.237287 1.144766
C 4.584535 -1.619065 -0.785650
C 5.858584 -2.393400 -0.401195
C -0.079201 -0.600416 0.360706
C -1.516950 -0.187706 0.327786
C -2.455691 -1.117454 -0.248193
C -2.013654 1.045443 0.861163
C -3.857247 -0.838635 -0.265088
C -4.823850 -1.849520 -0.852850
C -3.397331 1.298874 0.860977
C -4.303575 0.367428 0.302860
C -5.084436 -3.046290 0.101494
C -0.794636 3.148160 0.562658
H 2.519746 -0.068255 -0.994923
H 3.183664 2.180409 -1.131276
H 2.613186 2.338331 0.550529
H 4.882473 1.931714 1.434412
H 5.256110 2.882833 -0.036317
H 6.406440 0.431935 0.231377
H 5.657615 0.833719 -1.352535
H 2.677041 0.187879 2.068393
H 2.322032 -1.336811 1.199287
H 3.698929 -2.249896 -0.582177
H 4.588796 -1.421718 -1.889711
H 0.450859 0.968523 1.548283
H 5.905189 -3.352339 -0.948977
H 5.864714 -2.605627 0.682597
H 6.772618 -1.822457 -0.645940
H -4.404828 -2.242327 -1.797390
H -5.780801 -1.348727 -1.091427
H -5.375390 0.590139 0.312462
H -4.141472 -3.578010 0.313321
H -5.787998 -3.762734 -0.360435
H -5.517847 -2.705395 1.059360
H -0.987625 -2.309342 -0.729967
H -0.136295 3.792314 1.164952
H -0.278289 2.815664 -0.357781
H -1.718947 3.692725 0.308142


