%chk=000056653.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056653

0 1
 Br   7.479500       1.333800     -0.4513000    
 O   -1.392600      8.9699998E-02  0.3039000    
 O    1.992700      -1.044000      0.4052000    
 O  -0.4213000      -1.871700     -0.4293000    
 N   -5.029100      0.2793000     -0.2669000    
 C   -3.701800      0.7008000      0.1800000    
 C   -5.419400     -0.9657000      0.3934000    
 C   -6.013800       1.328000     -3.8000001E-03
 C   -2.666300     -0.3681000     -0.1307000    
 C   -6.770100      -1.451300     -0.1045000    
 C   -5.624100       2.630000     -0.6829000    
 C  -0.3457000     -0.7677000      9.2600003E-02
 C   0.9239000     -0.1405000      0.6054000    
 C    3.241000     -0.5035000      0.2113000    
 C    3.559700      0.7122000      0.8011000    
 C    4.165500      -1.180500     -0.5728000    
 C    4.826600       1.261400      0.6030000    
 C    5.432400     -0.6314000     -0.7708000    
 C    5.762900      0.5895000     -0.1829000    
 H   -3.363500       1.604800     -0.3380000    
 H   -3.685800      0.9348000       1.253100    
 H   -4.735000      -1.780600      0.1439000    
 H   -5.437400     -0.8664000       1.485900    
 H   -6.987900       1.055800     -0.4232000    
 H   -6.152200       1.500900       1.071000    
 H   -2.633800     -0.5721000      -1.208000    
 H   -2.854200      -1.298300      0.4117000    
 H   -7.600600     -0.8636000      0.2984000    
 H   -6.826600      -1.444900      -1.198500    
 H   -6.933100      -2.484400      0.2237000    
 H   -4.813400       3.148800     -0.1620000    
 H   -5.337600       2.475000      -1.728900    
 H   -6.480600       3.314000     -0.6795000    
 H    1.060000      0.7890000      3.8800001E-02
 H   0.8095000      5.7000000E-02   1.676300    
 H    2.868000       1.251900       1.440500    
 H    3.911000      -2.131200      -1.032400    
 H    5.070600       2.210800       1.072700    
 H    6.150200      -1.167700      -1.386100    


%chk=000056653-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056653

0 1
Br 7.922428 0.681305 0.751151
O -1.402206 0.261894 0.020194
O 2.035804 -0.740266 -0.456436
O -0.502522 -1.369694 -1.394003
N -5.148694 0.278685 0.162854
C -3.753496 0.628641 0.520675
C -5.637256 -0.946490 0.853450
C -6.092373 1.425161 0.240341
C -2.787193 -0.108918 -0.413509
C -6.727306 -1.691283 0.059718
C -5.918487 2.422438 -0.920750
C -0.356244 -0.444773 -0.576002
C 0.953810 0.148262 -0.062148
C 3.343146 -0.337357 -0.137512
C 3.676039 0.849138 0.561481
C 4.362269 -1.221080 -0.571050
C 5.034302 1.148213 0.822945
C 5.712968 -0.923193 -0.309885
C 6.036738 0.263152 0.386523
H -3.601464 1.715607 0.400317
H -3.507176 0.385286 1.580487
H -4.774012 -1.625884 0.985542
H -6.010863 -0.709928 1.881744
H -7.118079 1.016376 0.200707
H -6.003326 1.961960 1.218588
H -2.929602 0.203081 -1.462317
H -2.895087 -1.206474 -0.355482
H -7.628336 -1.069047 -0.088228
H -6.344560 -1.976624 -0.935424
H -7.038147 -2.606266 0.597578
H -4.909728 2.874677 -0.929255
H -6.069719 1.910211 -1.886695
H -6.651942 3.245850 -0.835810
H 1.081107 1.157794 -0.506264
H 0.894818 0.259420 1.038671
H 2.907644 1.545084 0.910395
H 4.078074 -2.129396 -1.109882
H 5.296631 2.062905 1.362140
H 6.499641 -1.604572 -0.645449


