%chk=000054207.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054207

0 1
 Br   4.635800      0.4240000      1.1000000E-03
 O   -2.211400       1.576800      1.2700000E-02
 N   -1.368200     -0.5915000     -1.0000000E-03
 N   -3.692300     -0.2024000     -2.3000001E-03
 C   2.9100001E-02 -0.3552000     -1.5000000E-03
 C    2.272000      -1.201200      4.1999999E-03
 C    1.869200       1.180800     -4.3000001E-03
 C   0.4938000      0.9485000     -5.2000000E-03
 C   0.8965000      -1.433700      3.1999999E-03
 C    2.758300      0.1061000      3.9999999E-04
 C    3.181300      -2.387900      9.6000005E-03
 C    2.337700       2.600700     -9.8999999E-03
 C   -2.393500      0.3575000     -3.8000001E-03
 C   -4.892400      0.6241000      1.8800000E-02
 C   -3.915900      -1.646500     -2.1900000E-02
 H  -0.1359000       1.823500     -1.1600000E-02
 H   0.5087000      -2.449300      6.3999998E-03
 H   -1.615800      -1.574800      2.0000001E-03
 H    3.810200      -2.390700      0.9060000    
 H    2.621500      -3.330200      1.2400000E-02
 H    3.812300      -2.397200     -0.8852000    
 H    2.932100       2.815600      0.8843000    
 H    2.931200       2.808700     -0.9065000    
 H    1.503100       3.310900     -1.2100000E-02
 H   -5.473400      0.3795000      0.9126000    
 H   -5.482600      0.4120000     -0.8774000    
 H   -4.640700       1.687300      3.6699999E-02
 H   -4.987300      -1.867100     -4.8799999E-02
 H   -3.485900      -2.091000      0.8806000    
 H   -3.446300      -2.076300     -0.9117000    


%chk=000054207-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054207

0 1
Br 4.723764 0.403663 -0.003750
O -2.315325 1.592083 0.005440
N -1.404030 -0.583603 0.003880
N -3.743072 -0.265424 -0.002511
C -0.013326 -0.290297 0.002138
C 2.280942 -1.217623 0.001612
C 1.911438 1.245228 -0.002582
C 0.512056 1.025279 -0.000717
C 0.878797 -1.394528 0.003282
C 2.766552 0.115029 -0.001367
C 3.196665 -2.425043 0.002902
C 2.437573 2.666301 -0.005474
C -2.474002 0.330487 0.002725
C -4.924823 0.611768 0.007411
C -3.956427 -1.719554 -0.012102
H -0.178052 1.870691 -0.000973
H 0.482509 -2.418747 0.005363
H -1.629281 -1.578741 0.009181
H 3.858425 -2.425565 0.888539
H 2.615019 -3.362229 0.004988
H 3.856932 -2.428550 -0.883839
H 3.070467 2.861899 0.879940
H 3.067984 2.859184 -0.893262
H 1.605984 3.389270 -0.005415
H -5.544043 0.431958 0.907195
H -5.546442 0.448931 -0.893924
H -4.574145 1.654687 0.016417
H -5.038965 -1.920402 -0.036345
H -3.554765 -2.211843 0.897972
H -3.517208 -2.203311 -0.908921


