%chk=000043029.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043029

0 1
 Br  0.9582000      -1.240600       2.651400    
 O   -5.806600      0.2248000      0.5754000    
 O   -4.572000      -2.169200     -9.6600004E-02
 O    5.120200     -1.9200001E-02  -1.563300    
 O    5.808000     -7.8599997E-02   1.128800    
 N   0.3475000       1.277500     -0.8428000    
 C   -2.372200       1.356100      2.3800001E-02
 C   -1.750500      0.1423000     -0.2953000    
 C   -1.535700       2.599400      8.6199999E-02
 C  -0.2907000      0.1888000     -0.5649000    
 C  -0.4307000       2.515400     -0.9585000    
 C   0.5007000      -1.095500     -0.5070000    
 C   -3.736200       1.373600      0.3282000    
 C   -2.488500      -1.042300     -0.3357000    
 C    1.898100     -0.8304000     -4.2700000E-02
 C   -4.475200      0.1911000      0.2879000    
 C   -3.853300      -1.012300     -4.6000000E-02
 C    2.866700     -0.5476000      -1.004600    
 C    2.242000     -0.8607000       1.308100    
 C    4.181900     -0.2945000     -0.6151000    
 C    3.557100     -0.6077000       1.697600    
 C    4.527100     -0.3246000      0.7360000    
 C   -6.365800       1.494000      0.9072000    
 C   -5.165700      -2.508500      -1.347900    
 C    4.685200     -7.7999998E-03  -2.921700    
 C    6.150400       1.276700       1.411600    
 H   -2.143900       3.491300     -0.1012000    
 H   -1.106800       2.685000       1.091800    
 H  -0.8438000       2.582700      -1.972800    
 H   0.2471000       3.366800     -0.8329000    
 H   0.5146000      -1.516300      -1.521500    
 H   2.2500001E-02  -1.858100      0.1112000    
 H   -4.161700       2.337200      0.5874000    
 H   -2.032200      -1.989600     -0.6059000    
 H    2.544200     -0.5363000      -2.040300    
 H    3.838100     -0.6289000       2.748100    
 H   -6.300900       2.195900      6.8800002E-02
 H   -5.930000       1.899600       1.826700    
 H   -7.431000       1.334500       1.105000    
 H   -5.871900      -1.733700      -1.662600    
 H   -5.710200      -3.448700      -1.225100    
 H   -4.395000      -2.647600      -2.112700    
 H    4.330100     -0.9937000      -3.240600    
 H    5.559500      0.2283000      -3.537400    
 H    3.947600      0.7815000      -3.103000    
 H    7.203900       1.310400       1.702700    
 H    5.545900       1.659900       2.239800    
 H    6.012200       1.902600      0.5244000    


%chk=000043029-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043029

0 1
Br 1.233554 -0.599973 3.116323
O -6.041838 -0.049401 -0.007156
O -4.411584 -2.297788 -0.622299
O 5.301460 -0.267171 -1.531478
O 6.120092 -0.061807 1.187217
N 0.297735 1.601993 -0.187949
C -2.593350 1.452892 0.207022
C -1.808085 0.305336 -0.103572
C -1.854216 2.732155 0.560917
C -0.321748 0.446117 -0.112491
C -0.548176 2.827336 -0.259659
C 0.522414 -0.835806 -0.070215
C -3.998715 1.354107 0.230901
C -2.466373 -0.914130 -0.403772
C 1.983900 -0.614243 0.261975
C -4.650874 0.129465 -0.054491
C -3.869832 -1.020468 -0.393580
C 2.941971 -0.526366 -0.779584
C 2.469847 -0.496640 1.583243
C 4.316333 -0.325733 -0.529157
C 3.832279 -0.282874 1.866455
C 4.771261 -0.192206 0.818678
C -6.859756 1.082574 0.438978
C -5.470991 -2.422224 -1.644724
C 4.866441 -0.459092 -2.916495
C 6.887453 1.043642 0.574991
H -2.484957 3.624013 0.390464
H -1.594961 2.715981 1.640641
H -0.785606 3.011917 -1.330335
H 0.067712 3.675580 0.086728
H 0.440386 -1.334093 -1.057720
H 0.066219 -1.525932 0.663896
H -4.585176 2.241440 0.490932
H -1.907181 -1.821147 -0.651330
H 2.580837 -0.608712 -1.809183
H 4.198590 -0.188332 2.891707
H -6.784366 1.936074 -0.262238
H -6.568292 1.407813 1.455829
H -7.891539 0.702242 0.451335
H -6.365246 -1.843495 -1.361902
H -5.701581 -3.497775 -1.681899
H -5.096349 -2.084535 -2.630899
H 4.392264 -1.450404 -3.052519
H 5.786301 -0.402630 -3.516941
H 4.163525 0.336033 -3.232801
H 7.885271 0.982741 1.035435
H 6.418942 2.016973 0.818791
H 6.954307 0.919553 -0.518068


