%chk=000121919.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121919

0 1
 Br   1.182900       4.634900     -0.9417000    
 O   -1.749300      -3.059300     -0.2755000    
 O   -4.144800     -0.7891000     -0.7405000    
 N   -1.520900     -0.7826000      0.1656000    
 N    1.049400      -1.765400      -1.118600    
 N   -4.833700      9.4700001E-02   1.296000    
 N   -6.097900      0.3984000      0.8340000    
 C  -0.8402000      0.4634000     -6.0400002E-02
 C   0.5104000      0.5423000     -0.4591000    
 C    1.392800     -0.6589000     -0.5507000    
 C   -2.618600     -0.8009000       1.132500    
 C   -1.236800      -1.965400     -0.5269000    
 C  -0.2799000      -1.846300      -1.686300    
 C   -1.534100       1.674400      0.1330000    
 C    1.103400       1.789600     -0.7270000    
 C    2.752500     -0.6032000      5.9900001E-02
 C  -0.9321000       2.910500     -0.1159000    
 C   0.3824000       2.967500     -0.5577000    
 C   -3.926900     -0.4979000      0.4333000    
 C    2.973200      0.1999000       1.172100    
 C    3.783500      -1.355400     -0.4896000    
 C    4.244600      0.2521000       1.743400    
 C    5.054800      -1.303500      8.1799999E-02
 C    5.285300     -0.4996000       1.198300    
 H   -2.709000      -1.800800       1.572600    
 H   -2.413200     -0.1070000       1.955300    
 H  -0.3544000      -2.754500      -2.294500    
 H  -0.5340000      -1.010900      -2.347700    
 H   -2.571300       1.702000      0.4496000    
 H    2.132700       1.843900      -1.076500    
 H   -1.513600       3.817700      2.7799999E-02
 H    2.179500      0.7714000       1.644100    
 H    3.630100      -1.981600      -1.364100    
 H    4.422600      0.8717000       2.617400    
 H    5.865900      -1.887400     -0.3434000    
 H    6.274900     -0.4603000       1.644000    
 H   -4.614900      0.3055000       2.264600    
 H   -6.759400     -6.0300000E-02   1.459100    
 H   -6.229800       1.399700      0.9708000    


%chk=000121919-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121919

0 1
Br 1.514709 4.617292 -1.717015
O -2.379235 -2.497001 0.303974
O -4.460022 1.331960 0.969355
N -1.582795 -0.316601 0.461084
N 0.791124 -1.789399 -0.721208
N -4.724352 -0.984535 0.914008
N -6.031376 -0.914323 0.349924
C -0.832815 0.796307 -0.057018
C 0.541771 0.669987 -0.439871
C 1.292865 -0.625146 -0.353242
C -2.533607 -0.100461 1.587544
C -1.592617 -1.594904 -0.119043
C -0.591787 -1.820161 -1.251755
C -1.471924 2.064337 -0.121994
C 1.218967 1.822525 -0.930250
C 2.703442 -0.621261 0.149682
C -0.784452 3.195014 -0.599024
C 0.557191 3.056509 -1.015277
C -3.989614 0.157296 1.139174
C 3.174483 0.370606 1.052538
C 3.584858 -1.664664 -0.245744
C 4.497624 0.321749 1.543485
C 4.906334 -1.707843 0.239906
C 5.369400 -0.713680 1.136073
H -2.490255 -0.998202 2.227907
H -2.201388 0.776662 2.162176
H -0.788831 -2.818036 -1.668678
H -0.759564 -1.051279 -2.038250
H -2.519626 2.163105 0.188179
H 2.263962 1.732120 -1.238403
H -1.292432 4.161708 -0.654745
H 2.503504 1.168580 1.387921
H 3.205543 -2.432263 -0.927026
H 4.845425 1.087935 2.244946
H 5.577609 -2.513131 -0.078136
H 6.397651 -0.747633 1.513060
H -4.218619 -1.878316 0.810248
H -6.148703 0.005971 -0.101508
H -6.746349 -1.061523 1.076103


