%chk=000034002.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034002

0 1
 Br   6.167700      -1.308700       1.906100    
 Br   2.825700      -1.152900      -2.775100    
 O   -2.709500       2.923200      -1.401200    
 O   -2.210500      -3.220700      -2.371200    
 O   -5.753600     -0.8917000       1.377100    
 O  -0.9664000      -3.231500     -0.4700000    
 O   -3.949000      -1.603900       2.559700    
 O    5.164500      -1.860900     -0.9323000    
 N   -2.623700     -0.8710000      5.0500002E-02
 N    1.693200       1.403200       1.620900    
 C   -2.918700      0.5579000      0.1621000    
 C   -1.683800       1.396600      0.1239000    
 C   -1.628000       2.549800     -0.6588000    
 C   -1.938700      -1.153700      -1.210000    
 C   -3.853600      -1.655400      0.1517000    
 C  -0.5778000       1.014800      0.8833000    
 C  -0.4660000       3.321300     -0.6820000    
 C   0.5804000       1.787600      0.8574000    
 C   0.6401000       2.939400      7.7299997E-02
 C  -0.3870000       4.559100      -1.513600    
 C   -1.655400      -2.628700      -1.283200    
 C   -4.491600      -1.379500       1.485200    
 C    2.535900      0.6204000       1.025800    
 C    3.761900      0.1209000       1.685800    
 C    2.296700      0.1887000     -0.3668000    
 C    4.622400     -0.6862000       1.056700    
 C    3.145200     -0.6182000      -1.012000    
 C    4.379400      -1.120100     -0.3471000    
 H   -3.403400      0.7969000       1.116800    
 H   -3.625500      0.8492000     -0.6252000    
 H  -0.9676000     -0.6580000      -1.310300    
 H   -2.547300     -0.8555000      -2.073600    
 H   -3.685900      -2.737900      0.1266000    
 H   -4.557900      -1.413700     -0.6546000    
 H  -0.6115000      0.1273000       1.511100    
 H    1.548900       3.536600      6.5099999E-02
 H   -1.140800       5.287000      -1.195800    
 H   0.5896000       5.047100      -1.419900    
 H  -0.5264000       4.322000      -2.573600    
 H   -2.534100       3.738000      -1.896500    
 H    3.927400      0.4442000       2.709000    
 H    1.424300      0.5091000     -0.9220000    
 H   -2.001800      -4.178300      -2.412800    
 H   -6.161100     -0.7335000       2.255300    


%chk=000034002-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000034002

0 1
Br 5.796194 -0.930309 3.163563
Br 1.564573 -3.828311 0.395534
O -3.066641 3.037066 -1.520251
O -1.935299 -0.954387 -3.552915
O -1.889470 -3.308389 0.445606
O -0.876546 -1.145016 -1.498364
O -1.374053 -1.555575 1.882033
O 4.059977 -3.320793 2.139278
N -3.417124 -0.341028 -0.185558
N 1.882853 1.572775 0.706721
C -3.148292 0.984386 0.423229
C -1.829477 1.647161 0.012171
C -1.826271 2.697384 -0.947368
C -3.298508 -0.491099 -1.619071
C -3.530824 -1.530287 0.660342
C -0.597649 1.242924 0.561857
C -0.633801 3.397246 -1.310866
C 0.622069 1.883019 0.184894
C 0.568838 2.996184 -0.710432
C -0.687841 4.541844 -2.307283
C -1.906305 -0.887526 -2.154166
C -2.169259 -2.109568 1.084478
C 2.320850 0.347525 1.018349
C 3.588016 0.300528 1.750753
C 1.696733 -0.928139 0.627319
C 4.143089 -0.890730 2.140018
C 2.294935 -2.107011 0.987797
C 3.545180 -2.214734 1.799918
H -3.145815 0.843596 1.517619
H -3.976976 1.672569 0.169331
H -3.582755 0.453908 -2.120658
H -4.000957 -1.262950 -1.994957
H -4.097262 -2.311014 0.123399
H -4.083172 -1.274771 1.583709
H -0.596649 0.446992 1.314337
H 1.506541 3.511297 -0.942179
H -1.349269 5.364559 -1.966633
H 0.313216 4.979466 -2.449388
H -1.038521 4.211398 -3.305933
H -2.978744 3.817510 -2.122611
H 4.044710 1.263768 1.993260
H 0.800166 -0.918159 0.000248
H -1.045549 -1.243397 -3.894618
H -0.938210 -3.579613 0.617287


