%chk=000056377.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056377

0 1
 Br  -1.603200      -3.498300     -0.8640000    
 O   0.8859000       1.080200      0.8249000    
 N    3.421500      0.3073000      6.9700003E-02
 N   7.7900000E-02  -1.002700      8.7800004E-02
 C    2.428300     -0.7190000      0.3843000    
 C    3.111800      0.9432000      -1.210200    
 C    4.763900     -0.2723000      4.1099999E-02
 C    1.051300     -8.2000002E-02  0.4693000    
 C    4.127300       2.011600      -1.559100    
 C    5.132600     -0.8845000       1.376700    
 C   -1.299600     -0.7731000      4.1499998E-02
 C   -3.144300      0.7532000      0.3712000    
 C   -1.775500      0.4871000      0.4059000    
 C   -3.651400       2.100000      0.7620000    
 C   -2.194300      -1.766800     -0.3573000    
 C   -4.038000     -0.2406000     -2.7799999E-02
 C   -3.563100      -1.500700     -0.3919000    
 C   -3.730900       3.057300     -0.4242000    
 H    2.443600      -1.525600     -0.3593000    
 H    2.589000      -1.159400       1.374100    
 H    3.071900      0.2066000      -2.023500    
 H    2.138800       1.443500      -1.191900    
 H    4.869000      -1.022700     -0.7526000    
 H    5.517700      0.5013000     -0.1366000    
 H    4.313300       2.688000     -0.7178000    
 H    5.079400       1.593300      -1.900000    
 H    3.746600       2.621800      -2.386300    
 H    4.923900     -0.2023000       2.208200    
 H    4.618600      -1.833200       1.559200    
 H    6.206200      -1.103700       1.397500    
 H   0.3739000      -1.938500     -0.1798000    
 H   -1.162200       1.314800      0.7234000    
 H   -4.644400       2.006500       1.219400    
 H   -3.010000       2.534500       1.539000    
 H   -5.106600     -4.5200001E-02 -6.0600001E-02
 H   -4.275200      -2.262000     -0.7004000    
 H   -2.745500       3.208100     -0.8779000    
 H   -4.108300       4.031800     -9.8600000E-02
 H   -4.403200       2.673300      -1.198800    


%chk=000056377-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000056377

0 1
Br -1.551232 -3.322360 -1.349914
O 0.950382 1.067555 0.781152
N 3.565470 0.095417 -0.132710
N 0.047114 -0.903914 -0.129974
C 2.468681 -0.809296 0.217263
C 3.447917 0.637215 -1.512132
C 4.904873 -0.458895 0.187746
C 1.100265 -0.094359 0.313368
C 4.226712 1.950364 -1.714084
C 5.182074 -0.551673 1.700758
C -1.345254 -0.651079 -0.092292
C -3.297465 0.760873 0.469836
C -1.900332 0.546532 0.437953
C -3.853493 2.074248 1.001239
C -2.248020 -1.631243 -0.595701
C -4.163261 -0.240661 -0.036267
C -3.638728 -1.438158 -0.570834
C -3.952245 3.158250 -0.106467
H 2.379575 -1.683116 -0.488460
H 2.667214 -1.237932 1.217854
H 3.765518 -0.119172 -2.276415
H 2.377427 0.844641 -1.695005
H 5.060392 -1.462789 -0.288300
H 5.653904 0.217454 -0.259598
H 3.895590 2.695841 -0.971444
H 5.318272 1.815740 -1.608022
H 4.040016 2.350386 -2.727922
H 5.023136 0.432488 2.173719
H 4.529990 -1.285470 2.208921
H 6.227173 -0.867064 1.876580
H 0.311558 -1.810907 -0.530616
H -1.207602 1.300037 0.820955
H -4.858298 1.908446 1.434521
H -3.208915 2.452954 1.816370
H -5.248803 -0.092429 -0.013751
H -4.304633 -2.213936 -0.959261
H -2.957271 3.370687 -0.537021
H -4.359143 4.100941 0.302796
H -4.611862 2.825186 -0.928239


