%chk=000054589.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054589

0 1
 Br   5.659200      0.6647000      0.7789000    
 O   0.4658000      -1.849400     -0.8240000    
 N   -2.557400      -1.501100      0.1486000    
 C   -1.787800      -1.058500      -1.025300    
 C  -0.3772000     -0.7914000     -0.6992000    
 C   0.3043000      0.3282000     -0.2811000    
 C    1.662100     -6.0600001E-02 -0.1367000    
 C   -1.986000      -2.730400      0.6887000    
 C   -3.957600      -1.695000     -0.2134000    
 C    1.708700      -1.407200     -0.4822000    
 C  -0.3236000       1.598400     -6.0899999E-02
 C    2.855400      0.5758000      0.2474000    
 C    2.870800      -2.176700     -0.4738000    
 C   -2.762900      -3.209400       1.903300    
 C   -4.574800     -0.4061000     -0.7293000    
 C  -0.4207000       2.520700      -1.104000    
 C  -0.8387000       1.915100       1.197200    
 C    4.040700     -0.1722000      0.2655000    
 C    4.045700      -1.523700     -8.9199997E-02
 C   -1.031100       3.756500     -0.8898000    
 C   -1.449200       3.150900       1.411400    
 C   -1.545400       4.071500      0.3679000    
 H   -2.190500     -0.1270000      -1.435600    
 H   -1.846800      -1.801400      -1.832500    
 H   -1.945600      -3.532100     -5.9500001E-02
 H  -0.9667000      -2.559400       1.049800    
 H   -4.085700      -2.491700     -0.9570000    
 H   -4.552000      -1.966800      0.6649000    
 H    2.851200       1.626800      0.5230000    
 H    2.866300      -3.224300     -0.7501000    
 H   -2.943300      -2.398800       2.617800    
 H   -3.718900      -3.669700       1.634900    
 H   -2.184900      -3.980000       2.426300    
 H   -4.335600      0.4473000     -8.5199997E-02
 H   -4.271000     -0.1759000      -1.755000    
 H   -5.666400     -0.5043000     -0.7458000    
 H  -2.5100000E-02   2.291200      -2.090800    
 H  -0.7727000       1.208700       2.021500    
 H    4.972100      -2.094200     -7.1400002E-02
 H   -1.106300       4.473400      -1.702100    
 H   -1.850100       3.396200       2.390500    
 H   -2.020900       5.033500      0.5347000    


%chk=000054589-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054589

0 1
Br 5.758883 0.831987 0.457882
O 0.537149 -1.991768 -0.989647
N -2.642071 -1.552281 0.163330
C -1.818656 -1.251356 -1.052480
C -0.385840 -0.924674 -0.761150
C 0.278403 0.235325 -0.369466
C 1.703879 -0.103334 -0.327541
C -2.080983 -2.693410 0.947704
C -4.068933 -1.780829 -0.209695
C 1.812677 -1.468838 -0.716887
C -0.338195 1.545721 -0.072815
C 2.884053 0.596092 0.034817
C 3.022335 -2.171229 -0.792961
C -2.667411 -2.798768 2.367755
C -4.778881 -0.536740 -0.777830
C 0.330568 2.755404 -0.414608
C -1.613286 1.626326 0.555744
C 4.100778 -0.105099 -0.038379
C 4.194527 -1.461644 -0.448612
C -0.255554 4.007721 -0.134102
C -2.196593 2.881696 0.830585
C -1.521430 4.077924 0.493239
H -2.273098 -0.376668 -1.550430
H -1.834913 -2.101931 -1.778129
H -2.218542 -3.662567 0.403512
H -0.992178 -2.531959 1.031380
H -4.160406 -2.629071 -0.937680
H -4.598157 -2.091549 0.707681
H 2.853306 1.632434 0.378229
H 3.060955 -3.219477 -1.100240
H -2.557343 -1.835749 2.896858
H -3.736760 -3.075318 2.370322
H -2.126119 -3.574763 2.939534
H -4.653870 0.324921 -0.098580
H -4.403792 -0.246387 -1.775167
H -5.860108 -0.741318 -0.882788
H 1.293145 2.716355 -0.936340
H -2.129488 0.697081 0.832511
H 5.168536 -1.955893 -0.490634
H 0.271839 4.927686 -0.410433
H -3.176628 2.926641 1.319733
H -1.974397 5.050907 0.714179


