%chk=000037749.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037749

0 1
 Br   3.428100     -0.3115000      -2.676100    
 O    1.778100      -2.052700     -0.5237000    
 N   -4.215600       1.675900      0.1280000    
 N   0.4741000     -0.3135000      0.3140000    
 C   -1.775200       1.456900     -3.8100000E-02
 C   -1.938700     -3.5999998E-02  8.0399998E-02
 C   -3.025500       2.150500     -0.5887000    
 C   -4.445000      0.2482000     -0.1556000    
 C   -3.221400     -0.6105000      6.8899997E-02
 C  -0.8151000     -0.8525000      0.2630000    
 C   -3.357200      -1.998900      0.2030000    
 C   -5.391600       2.463600     -0.2397000    
 C  -0.9623000      -2.231700      0.4070000    
 C   -2.231700      -2.804600      0.3746000    
 C    1.688200     -0.9142000     -6.9399998E-02
 C    2.888100     -8.8699996E-02  0.1505000    
 C    3.738200      0.2523000     -0.8909000    
 C    3.137400      0.3377000       1.447600    
 C    4.861900       1.036500     -0.6308000    
 C    4.261300       1.121800       1.707700    
 C    5.123700       1.471300      0.6685000    
 H   -1.543300       1.859700      0.9561000    
 H  -0.9435000       1.700600     -0.7096000    
 H   -2.900900       3.232300     -0.4563000    
 H   -3.119800       1.964600      -1.667300    
 H   -4.769100      0.1051000      -1.195300    
 H   -5.246500     -0.1112000      0.5020000    
 H   -4.341600      -2.459000      0.1762000    
 H   -5.244800       3.517300      2.2200000E-02
 H   -6.272100       2.122000      0.3156000    
 H   -5.613600       2.402700      -1.311300    
 H  -0.1215000      -2.893100      0.5888000    
 H   -2.346800      -3.878300      0.4920000    
 H   0.5255000      0.6826000      0.5129000    
 H    2.479700      6.8800002E-02   2.269900    
 H    5.545500       1.319200      -1.427400    
 H    4.466000       1.459100       2.719600    
 H    5.998900       2.081500      0.8713000    


%chk=000037749-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000037749

0 1
Br 4.002107 -1.081524 -2.345269
O 1.907670 -2.302038 -0.050538
N -4.151892 1.680897 0.243329
N 0.490231 -0.418057 0.056740
C -1.724764 1.408505 -0.131885
C -1.930263 -0.100484 -0.040474
C -3.006942 2.144313 -0.566454
C -4.465215 0.267368 -0.051453
C -3.239844 -0.637312 -0.006936
C -0.814432 -0.995907 0.025888
C -3.431860 -2.039468 0.054704
C -5.340641 2.543022 0.116354
C -1.009849 -2.398938 0.078118
C -2.324567 -2.909282 0.087762
C 1.733484 -1.052861 0.040087
C 2.887929 -0.081335 0.197849
C 3.983062 -0.018463 -0.699390
C 2.921671 0.752125 1.349791
C 5.076328 0.841555 -0.463996
C 4.011440 1.612330 1.601033
C 5.091488 1.655430 0.691659
H -1.409787 1.807209 0.854760
H -0.927721 1.656758 -0.864817
H -2.881512 3.231652 -0.413014
H -3.180848 1.979130 -1.662342
H -4.947471 0.164208 -1.062698
H -5.207684 -0.088115 0.688340
H -4.451089 -2.443723 0.079598
H -5.085974 3.576711 0.409945
H -6.134990 2.182072 0.794389
H -5.760686 2.568526 -0.921816
H -0.143527 -3.061173 0.106790
H -2.477612 -3.992972 0.131279
H 0.527859 0.603398 0.065259
H 2.096639 0.692767 2.069213
H 5.904498 0.876922 -1.177611
H 4.020769 2.234907 2.501538
H 5.945893 2.315649 0.873869


