%chk=000089921.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089921

0 1
 Br   7.430700       3.903000     -0.1606000    
 Br   6.939500      -3.982500      0.1121000    
 O   0.2708000      0.4041000      0.3505000    
 O   0.1516000      -1.357800      -1.172400    
 N    5.813400      4.8900001E-02  6.8300001E-02
 C    6.597900       1.174400     -0.3993000    
 C    6.490800      -1.175000      0.4477000    
 C    4.407700      0.1390000      0.1403000    
 C    3.709000     -0.6021000       1.093300    
 C    3.716300      0.9688000     -0.7423000    
 C    6.384600       2.389100      0.4833000    
 C    6.035800      -2.337100     -0.4140000    
 C    1.663600      0.3139000      0.2791000    
 C    2.318800     -0.5135000       1.163600    
 C    2.326000       1.057500     -0.6720000    
 C   -4.604800     -7.0200004E-02 -7.4500002E-02
 C   -1.841500     -0.3674000     -0.3177000    
 C   -6.037800      8.4600002E-02  5.2200001E-02
 C   -3.772800      0.2365000       1.002300    
 C   -4.055100     -0.5255000      -1.272800    
 C   -2.391200      8.8000000E-02  0.8807000    
 C   -2.673600     -0.6743000      -1.394400    
 C  -0.4011000     -0.5219000     -0.4439000    
 C   -6.640100       1.298300     -0.2796000    
 C   -6.817300     -0.9798000      0.5055000    
 C   -8.021500       1.447700     -0.1579000    
 C   -8.198800     -0.8302000      0.6271000    
 C   -8.800900      0.3835000      0.2954000    
 H    6.373400       1.395800      -1.449800    
 H    7.667300      0.9260000     -0.3961000    
 H    6.345800      -1.385400       1.514400    
 H    7.577400      -1.064000      0.3377000    
 H    4.208300      -1.245400       1.810900    
 H    4.217600       1.548300      -1.511100    
 H    6.712800       2.202800       1.510500    
 H    5.352400       2.745100      0.5073000    
 H    6.279000      -2.175700      -1.468700    
 H    4.969300      -2.558200     -0.3328000    
 H    1.774600      -1.086200       1.907900    
 H    1.786800       1.700600      -1.360500    
 H   -4.185400      0.5899000       1.944500    
 H   -4.689400     -0.7684000      -2.122200    
 H   -1.769600      0.3222000       1.741000    
 H   -2.261400      -1.027500      -2.336100    
 H   -6.047400       2.138100     -0.6347000    
 H   -6.364000      -1.932700      0.7682000    
 H   -8.490500       2.392700     -0.4161000    
 H   -8.805900      -1.658800      0.9801000    
 H   -9.876500      0.4999000      0.3901000    


%chk=000089921-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000089921

0 1
Br 7.594391 3.468447 2.178228
Br 8.093647 -2.967963 -1.894922
O 0.203864 -0.105729 0.027240
O -0.262559 -2.320989 -0.623076
N 5.891854 0.107034 0.130049
C 6.570943 1.392185 0.364354
C 6.741203 -1.075258 -0.095389
C 4.478921 0.015581 0.097922
C 3.820436 -1.211187 -0.212949
C 3.655650 1.150178 0.376343
C 6.702981 1.667087 1.875980
C 6.949007 -1.314222 -1.604656
C 1.629075 -0.173612 0.022899
C 2.415680 -1.316842 -0.249486
C 2.254729 1.052646 0.334570
C -4.852425 -0.071488 -0.061259
C -2.079485 -0.755081 -0.201475
C -6.297200 0.285192 0.008056
C -3.843256 0.883078 0.252890
C -4.437528 -1.378733 -0.445881
C -2.478149 0.551454 0.185037
C -3.075800 -1.717060 -0.515414
C -0.655430 -1.174307 -0.297016
C -7.237609 -0.299754 -0.885555
C -6.775677 1.219027 0.969130
C -8.606055 0.036750 -0.821199
C -8.144187 1.555128 1.035419
C -9.067214 0.966011 0.140180
H 6.031192 2.220096 -0.128247
H 7.577322 1.359975 -0.089233
H 6.302529 -1.971900 0.376693
H 7.722196 -0.914982 0.385809
H 4.396314 -2.112880 -0.440364
H 4.096204 2.117703 0.632760
H 7.348361 0.932284 2.380686
H 5.728474 1.732842 2.381320
H 7.497516 -0.491276 -2.087563
H 6.006967 -1.512675 -2.136140
H 1.942680 -2.267756 -0.494978
H 1.632121 1.926647 0.548639
H -4.132616 1.904899 0.521214
H -5.191984 -2.142869 -0.661333
H -1.713112 1.296401 0.418249
H -2.757996 -2.724727 -0.802326
H -6.890683 -0.996854 -1.656705
H -6.077872 1.659151 1.690437
H -9.310761 -0.418412 -1.525978
H -8.492124 2.268774 1.790513
H -10.129935 1.227087 0.191029


