%chk=000060390.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060390

0 1
 Br  -5.086900      -1.359600      -2.475100    
 Br  -3.668000      -3.769100       2.448500    
 O   0.5027000       2.523000      0.8871000    
 O   -1.723400       1.307200       2.359300    
 O    1.926700       2.318500     -0.9163000    
 N   -2.312200       2.296500      0.3211000    
 N    2.760100     -0.1095000      0.1805000    
 N   -3.563800       1.056100      -1.275600    
 C   -1.652500       3.555000      0.6664000    
 C   -2.960700       2.141500     -0.9025000    
 C   -2.269700       1.255400       1.260800    
 C  -0.2012000       3.564100      0.2222000    
 C   -2.953400      9.7000003E-03  0.8529000    
 C   -3.571600     -3.6600001E-02 -0.3991000    
 C    2.189400      0.8996000       1.037700    
 C    1.841900      -1.060400     -0.3642000    
 C    4.184500     -0.2381000      0.1272000    
 C   -2.962700       3.308600      -1.860600    
 C   -2.979400      -1.099600       1.705800    
 C    1.557100       1.980200      0.1999000    
 C   -4.219600      -1.214000     -0.7898000    
 C   -3.628900      -2.265600       1.303300    
 C   -4.248300      -2.323300      5.6699999E-02
 C    1.392700      -2.101600      0.4318000    
 C    4.749700      -1.502100      0.1191000    
 C    1.419100     -0.9213000      -1.676000    
 C    4.966400      0.9038000      8.3700001E-02
 C   0.4959000      -3.028900     -9.8700002E-02
 C    6.137800      -1.628000      6.6000000E-02
 C   0.5224000      -1.848700      -2.206500    
 C    6.354600      0.7778000      3.0700000E-02
 C   6.0800001E-02  -2.902500      -1.418000    
 C    6.940400     -0.4880000      2.1700000E-02
 H   -1.692400       3.675400       1.755800    
 H   -2.184800       4.407100      0.2364000    
 H   0.2602000       4.517600      0.5008000    
 H  -0.1374000       3.457200     -0.8649000    
 H    1.422400      0.4568000       1.686900    
 H    2.917600       1.370500       1.708700    
 H   -1.950900       3.658700      -2.067400    
 H   -3.558500       4.127000      -1.446700    
 H   -3.416400       3.010100      -2.811200    
 H   -2.495700      -1.058600       2.678600    
 H   -4.754100      -3.234900     -0.2546000    
 H    1.723600      -2.208400       1.461100    
 H    4.157200      -2.410000      0.1591000    
 H    1.776100     -0.1077000      -2.300600    
 H    4.538000       1.901200      7.2800003E-02
 H   0.1344000      -3.848100      0.5161000    
 H    6.594400      -2.613400      6.0400002E-02
 H   0.1833000      -1.750200      -3.233600    
 H    6.979600       1.665300     -7.6000001E-03
 H  -0.6392000      -3.623400      -1.830200    
 H    8.021200     -0.5860000     -2.0400001E-02


%chk=000060390-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060390

0 1
Br -5.183756 -0.364874 -3.220246
Br -3.648835 -4.013585 0.989850
O 1.025970 2.856107 1.075671
O -1.345316 0.978057 2.002995
O 0.789183 1.387986 -0.729375
N -2.089230 2.422117 0.304236
N 2.659633 -0.416433 0.634742
N -3.471009 1.648837 -1.509132
C -1.367843 3.539475 0.972117
C -2.801272 2.615380 -0.897717
C -2.020152 1.139699 0.940611
C 0.060780 3.794722 0.451564
C -2.789187 0.074709 0.272522
C -3.487414 0.373525 -0.942659
C 2.004827 0.684543 1.333949
C 1.903970 -1.627993 0.434423
C 3.906250 -0.187050 -0.006781
C -2.828906 3.993508 -1.516329
C -2.812856 -1.220331 0.848985
C 1.233381 1.635817 0.408379
C -4.216166 -0.688873 -1.561643
C -3.553515 -2.219804 0.210853
C -4.257584 -1.972410 -0.996377
C 1.353244 -2.309722 1.550187
C 4.699889 -1.280894 -0.465239
C 1.669232 -2.130727 -0.871859
C 4.429668 1.131579 -0.154157
C 0.569739 -3.469147 1.360459
C 5.957839 -1.057064 -1.055776
C 0.902308 -3.300646 -1.053287
C 5.696301 1.340090 -0.741670
C 0.343335 -3.973631 0.059214
C 6.472184 0.254060 -1.201818
H -1.306876 3.285119 2.044077
H -1.964249 4.459977 0.860339
H 0.399162 4.791625 0.777318
H 0.128225 3.706605 -0.647162
H 1.239159 0.290702 2.026817
H 2.718952 1.270166 1.938681
H -1.817243 4.401128 -1.686679
H -3.384176 4.714617 -0.886768
H -3.346125 3.909702 -2.482133
H -2.251575 -1.398160 1.769673
H -4.826034 -2.769909 -1.480796
H 1.552177 -1.941458 2.563276
H 4.332861 -2.304021 -0.341995
H 2.070102 -1.588688 -1.733958
H 3.855746 2.003827 0.173535
H 0.146626 -3.985144 2.229741
H 6.546852 -1.917413 -1.394158
H 0.721560 -3.674100 -2.067533
H 6.072500 2.364699 -0.844092
H -0.266334 -4.871719 -0.085689
H 7.452495 0.421720 -1.659687


