%chk=000056167.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056167

0 1
 Br  -1.385200      -3.225400      0.3628000    
 O  -0.5178000     -0.6315000       1.942200    
 O   0.6870000       1.863100      -1.849300    
 O    3.784600     -0.7117000      0.3486000    
 N    1.607300     -0.7476000       1.085800    
 N    2.209200      0.4991000     -0.8078000    
 C  -0.1745000      0.1993000     -0.3099000    
 C   -1.375700       1.128100     -8.0499999E-02
 C  -0.6014000     -0.9700000      -1.215200    
 C   0.2654000     -0.4033000       1.020600    
 C   0.9230000      0.9586000      -1.048800    
 C   -1.004500       2.280500      0.8414000    
 C   -1.781800      -1.709600     -0.6627000    
 C   -2.200300       3.186400       1.087800    
 C    2.612400     -0.3589000      0.2084000    
 C   -3.047800      -1.357100     -0.9233000    
 H   -2.206900      0.6151000      0.4128000    
 H   -1.754200       1.524600      -1.031500    
 H   0.2357000      -1.659900      -1.390100    
 H  -0.8539000     -0.5875000      -2.215100    
 H  -0.2013000       2.887800      0.4108000    
 H  -0.6462000       1.924700       1.812700    
 H    1.901700      -1.274100       1.903600    
 H    2.947300      0.8915000      -1.385700    
 H   -2.573200       3.609600      0.1495000    
 H   -3.017700       2.638700       1.567600    
 H   -1.918400       4.015800       1.744200    
 H   -3.887800      -1.919700     -0.5288000    
 H   -3.280100     -0.5035000      -1.551600    


%chk=000056167-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056167

0 1
Br -1.132995 -3.511479 0.045887
O -0.556974 -0.681463 1.984723
O 0.728333 1.730078 -1.980786
O 3.834810 -0.705763 0.475887
N 1.591316 -0.791082 1.135053
N 2.235676 0.478112 -0.751795
C -0.215129 0.221115 -0.280391
C -1.363318 1.230608 -0.011580
C -0.701096 -0.919453 -1.295595
C 0.229769 -0.431260 1.040075
C 0.929696 0.901577 -1.056496
C -0.966322 2.428859 0.882385
C -1.789304 -1.843446 -0.799708
C -2.156932 3.386632 1.102832
C 2.637643 -0.375253 0.296438
C -3.122101 -1.663135 -0.937229
H -2.191134 0.677136 0.466121
H -1.715408 1.609755 -0.989484
H 0.172446 -1.513544 -1.619787
H -1.078275 -0.372714 -2.180434
H -0.132131 2.986278 0.412761
H -0.610377 2.060878 1.864089
H 1.868853 -1.343256 1.953414
H 2.994487 0.849968 -1.332886
H -2.520205 3.797667 0.142362
H -3.000807 2.863090 1.589866
H -1.870978 4.237474 1.747117
H -3.856739 -2.383607 -0.569599
H -3.497902 -0.760672 -1.434740


