%chk=000044660.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044660

0 1
 Br  -3.305000      -1.529500      0.3790000    
 O  -0.7024000      -2.592500     -0.1906000    
 O    1.422900      -2.105700       1.569500    
 O   -2.095800       1.606400       1.830300    
 O   -2.350300     -0.3890000      -2.254800    
 O   -3.950800       1.428000      0.6727000    
 O   -2.094000       1.677200      -1.569300    
 N   -2.786100       1.096600      0.9340000    
 N   -2.216200      0.4602000      -1.363500    
 C   4.1499998E-02  -1.374700     -0.2979000    
 C  -0.6984000     -0.2800000      0.5063000    
 C    1.470500      -1.659400      0.2143000    
 C   -2.148100      3.5999999E-03  8.0100000E-02
 C    2.395800     -0.4700000      5.7599999E-02
 C    3.122800     -0.3313000      -1.111100    
 C    2.491400      0.4496000       1.086500    
 C    3.974500      0.7638000      -1.255600    
 C    3.343100       1.544800      0.9417000    
 C    4.084600       1.701800     -0.2293000    
 H   9.4099998E-02  -1.102000      -1.358000    
 H  -0.1303000      0.6542000      0.4249000    
 H  -0.6939000     -0.5686000       1.566600    
 H    1.885500      -2.506100     -0.3478000    
 H   -1.508600      -2.489700     -0.7237000    
 H    3.041200      -1.055500      -1.916300    
 H    1.920800      0.3481000       2.004700    
 H   0.8052000      -2.855900       1.608100    
 H    4.551200      0.8866000      -2.167700    
 H    3.428300       2.276000       1.740300    
 H    4.747400       2.554800     -0.3421000    


%chk=000044660-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044660

0 1
Br -3.317433 -1.171789 1.155401
O -0.684619 -2.684771 -0.224544
O 1.324330 -2.203137 1.518102
O -1.661105 2.215655 1.152658
O -2.720536 -1.222952 -1.878741
O -3.709722 1.862161 0.206627
O -2.111483 0.966040 -2.093179
N -2.527351 1.513202 0.531694
N -2.371259 -0.082418 -1.413496
C 0.018411 -1.408459 -0.396857
C -0.612871 -0.228788 0.396275
C 1.448489 -1.707942 0.148582
C -2.093485 0.025439 0.141010
C 2.359153 -0.489789 0.128666
C 2.830541 0.008699 -1.112311
C 2.730711 0.164403 1.327158
C 3.651853 1.156734 -1.155629
C 3.557008 1.310325 1.283050
C 4.015409 1.813264 0.043846
H 0.088088 -1.144051 -1.472419
H -0.064211 0.695134 0.134515
H -0.467206 -0.401783 1.476927
H 1.860315 -2.503576 -0.508261
H -1.537891 -2.682583 -0.731443
H 2.571218 -0.506068 -2.046742
H 2.385894 -0.247236 2.279806
H 0.667267 -2.948423 1.489829
H 4.012453 1.533576 -2.119116
H 3.844005 1.808670 2.215679
H 4.654929 2.702262 0.011812


