%chk=000040367.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040367

0 1
 Br  -4.391400       3.290900       1.391900    
 Br  -4.453600       2.918600      -2.046900    
 O   -2.123800      -1.457900       1.337500    
 O   -2.167500      -1.717600      -1.058600    
 N    1.910600      -1.483400      7.5400002E-02
 N    4.902300      0.7255000     -0.1728000    
 C   -1.796200      -2.308700      0.2112000    
 C  -0.2864000      -2.545200      0.2094000    
 C   0.4749000      -1.230000      9.3999997E-02
 C    2.656100     -0.2384000     -4.4700000E-02
 C    4.155600     -0.5201000     -3.4699999E-02
 C   -2.550600      -3.628400      0.3678000    
 C   -2.681000     -0.3846000      0.7110000    
 C   -2.706000     -0.5329000     -0.6568000    
 C    6.341800      0.4623000     -0.2011000    
 C    4.575200       1.645600      0.9175000    
 C   -3.177700      0.7446000       1.328200    
 C   -3.229300      0.4397000      -1.483300    
 C    6.703600     -0.4915000      -1.326900    
 C    5.296200       2.972600      0.7512000    
 C   -3.713600       1.745200      0.5141000    
 C   -3.739300       1.593700     -0.8836000    
 H   1.0200000E-02  -3.050400       1.137800    
 H  -1.3200000E-02  -3.196100     -0.6313000    
 H   0.2332000     -0.5766000      0.9400000    
 H   0.1940000     -0.7131000     -0.8303000    
 H    2.380800      0.2806000     -0.9712000    
 H    2.354500      0.3811000      0.8037000    
 H    4.347100      -1.193100     -0.8776000    
 H    4.437500      -1.051800      0.8845000    
 H   -2.303900      -4.118100       1.315600    
 H   -2.333400      -4.311600     -0.4599000    
 H   -3.632600      -3.453200      0.3668000    
 H    2.185600      -1.971700      0.9273000    
 H    6.703900      5.9300002E-02  0.7532000    
 H    6.897900       1.383400     -0.4040000    
 H    4.800900       1.217400       1.902100    
 H    3.518100       1.921300      0.9070000    
 H   -3.146100      0.8375000       2.408800    
 H   -3.237000      0.2989000      -2.559200    
 H    7.788800     -0.4804000      -1.480200    
 H    6.239600     -0.1986000      -2.275000    
 H    6.434800      -1.528200      -1.101100    
 H    4.865200       3.713400       1.434400    
 H    5.191600       3.367800     -0.2652000    
 H    6.359900       2.904800      0.9992000    


%chk=000040367-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040367

0 1
Br -5.575812 2.972764 0.958802
Br -5.186876 2.532004 -2.483036
O -2.310278 -1.314107 1.328164
O -2.046929 -1.621667 -1.048092
N 1.971648 -1.306843 0.514625
N 5.234216 0.602978 0.113985
C -1.753610 -2.276846 0.290015
C -0.242983 -2.397202 0.478058
C 0.530773 -1.080533 0.270895
C 2.845465 -0.164919 0.160947
C 4.326042 -0.540238 0.374982
C -2.537683 -3.581903 0.371897
C -3.054050 -0.357163 0.616371
C -2.898356 -0.536643 -0.777162
C 6.547047 0.189831 -0.450170
C 5.363643 1.512429 1.284759
C -3.836672 0.671437 1.140550
C -3.517850 0.306060 -1.699813
C 6.458271 -0.215645 -1.933862
C 5.734012 2.955249 0.890752
C -4.478324 1.540083 0.212368
C -4.321705 1.360972 -1.181552
H -0.071300 -2.783447 1.502580
H 0.145282 -3.156215 -0.225289
H 0.093729 -0.282986 0.918859
H 0.408890 -0.752239 -0.777358
H 2.695801 0.076417 -0.907432
H 2.603861 0.764489 0.734640
H 4.568082 -1.366827 -0.315255
H 4.461455 -0.946746 1.412074
H -2.372909 -4.062106 1.351541
H -2.207328 -4.270180 -0.424331
H -3.616811 -3.389815 0.249168
H 2.143122 -1.616307 1.483387
H 7.004001 -0.642752 0.144126
H 7.236487 1.049227 -0.362596
H 6.106984 1.119076 2.025333
H 4.387195 1.531627 1.803969
H -3.954175 0.810616 2.216747
H -3.393366 0.167778 -2.775328
H 7.456341 -0.496125 -2.319876
H 6.068539 0.625651 -2.532859
H 5.785825 -1.079710 -2.084894
H 5.787888 3.600055 1.788061
H 4.975015 3.365968 0.202545
H 6.714701 3.007050 0.383904


