%chk=000048598.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048598

0 1
 Br  -6.046800     -0.6429000     -0.1463000    
 O   0.5180000      -1.634600     -0.9564000    
 O    3.958700       1.248800     -0.3094000    
 O  -0.2656000       2.696500      0.6402000    
 N  -2.8700000E-02  0.4413000     -1.1000000E-02
 N    1.801500       1.949800      5.4400001E-02
 C    2.275300     -0.4296000      0.1683000    
 C    3.214300      -1.437500     -0.5146000    
 C    2.294800     -0.6845000       1.686000    
 C   0.8425000     -0.6251000     -0.3279000    
 C    2.780800      0.9795000     -8.2999997E-02
 C    3.289200      -1.169900      -1.993300    
 C    1.834400      -2.083900       1.990200    
 C   0.4307000       1.757500      0.2451000    
 C   -1.452900      0.1846000     -4.3299999E-02
 C   -1.927700      -1.088700      0.2458000    
 C   -2.329100       1.214800     -0.3622000    
 C   -3.300300      -1.335900      0.2150000    
 C   -3.701700      0.9676000     -0.3931000    
 C   -4.187200     -0.3078000     -0.1046000    
 H    2.868900      -2.470100     -0.3939000    
 H    4.223700      -1.387500     -8.7399997E-02
 H    1.645500      2.4800001E-02   2.214200    
 H    3.303300     -0.5305000       2.090700    
 H    2.320000      -1.183500      -2.497600    
 H    3.776700     -0.2225000      -2.237200    
 H    3.895600      -1.950700      -2.467900    
 H   0.8477000      -2.323200       1.588800    
 H    2.545800      -2.846400       1.661400    
 H    1.757500      -2.201600       3.077900    
 H    2.123600       2.913700      5.8400001E-02
 H   -1.283300      -1.906200      0.5504000    
 H   -2.008900       2.203300     -0.6710000    
 H   -3.663700      -2.332200      0.4536000    
 H   -4.378900       1.774900     -0.6602000    


%chk=000048598-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048598

0 1
Br -6.191810 -0.521736 -0.367046
O 0.351945 -1.749292 -0.563155
O 3.992320 1.289635 0.244992
O -0.390128 2.751962 0.503629
N -0.066382 0.452173 0.086221
N 1.780880 1.944741 0.363246
C 2.293538 -0.491621 0.225537
C 3.185462 -1.328974 -0.735052
C 2.453869 -0.987215 1.731706
C 0.811997 -0.657102 -0.148127
C 2.777773 0.962613 0.249226
C 3.149382 -0.850582 -2.201573
C 2.155089 -2.479685 1.973986
C 0.382705 1.777395 0.338223
C -1.504316 0.235738 -0.025902
C -2.132195 -0.674500 0.850409
C -2.253888 0.923244 -1.003233
C -3.520353 -0.905772 0.751647
C -3.644474 0.704736 -1.105039
C -4.260525 -0.209888 -0.226437
H 2.845302 -2.376735 -0.684941
H 4.220289 -1.280162 -0.350324
H 1.803124 -0.365909 2.379569
H 3.499249 -0.761602 2.016241
H 2.128775 -0.914987 -2.620680
H 3.512642 0.188242 -2.300240
H 3.801522 -1.488650 -2.823909
H 1.151974 -2.768556 1.615900
H 2.890810 -3.130336 1.471805
H 2.209520 -2.690442 3.057604
H 2.094127 2.914672 0.479564
H -1.544151 -1.210658 1.601236
H -1.766004 1.636004 -1.673890
H -4.011801 -1.612830 1.425201
H -4.232568 1.238376 -1.856296


