%chk=000130270.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130270

0 1
 Br   1.722600      -4.684000      0.4804000    
 O   -3.356300      0.2964000       2.121900    
 O   -3.529400      -1.878400      -1.682600    
 O   0.9931000       3.452800     -0.2363000    
 O    4.151800      0.1385000      0.1431000    
 N   0.2685000       1.235500     -0.3044000    
 N    2.555000       1.784800     -4.8099998E-02
 C   -2.880900     -0.1006000     -0.2250000    
 C   -1.120100       1.596500     -0.4655000    
 C   -1.891400      0.5087000      -1.229900    
 C   -2.334500      0.3029000       1.143300    
 C   -1.813100       1.711300      0.8895000    
 C   -3.041500      -1.605800     -0.3804000    
 C   0.6283000     -0.1035000     -0.2540000    
 C    1.243500       2.246200     -0.2001000    
 C    1.884500     -0.5459000     -0.1081000    
 C    2.974700      0.4638000      8.8000000E-03
 C    2.195500      -1.951500     -6.2799998E-02
 C    1.349700      -2.867800      0.4103000    
 H   -3.866300      0.3592000     -0.3886000    
 H   -1.173400       2.553100     -0.9981000    
 H   -1.308400     -0.2107000      -1.812400    
 H   -2.496600       1.015600      -1.996300    
 H   -1.538800     -0.3641000       1.488600    
 H   -1.158300       2.054100       1.697800    
 H   -2.648700       2.420500      0.8327000    
 H   -3.760200      -1.993700      0.3489000    
 H   -2.092600      -2.133500     -0.2459000    
 H   -4.063300      0.8967000       1.830600    
 H  -0.1662000     -0.8299000     -0.3104000    
 H   -3.628600      -2.842900      -1.755300    
 H    3.277900       2.494900      2.8899999E-02
 H    3.170300      -2.251600     -0.4383000    
 H   0.3737000      -2.642700      0.8216000    


%chk=000130270-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000130270

0 1
Br 3.306571 -4.413333 1.531189
O -3.888182 0.031589 2.057402
O -4.386101 -0.806780 -2.299645
O 0.725889 3.218329 -1.065638
O 4.483584 0.504267 -0.522205
N 0.402721 1.035834 -0.221164
N 2.569067 1.808581 -0.768597
C -3.213935 0.073937 -0.392881
C -1.073466 1.245795 -0.148960
C -1.868089 0.310225 -1.114767
C -2.789913 -0.062800 1.093385
C -1.678070 1.009122 1.275841
C -4.016319 -1.117604 -0.908682
C 0.968025 -0.171975 0.162827
C 1.200659 2.105222 -0.711687
C 2.323943 -0.447787 0.109990
C 3.229731 0.603998 -0.400756
C 2.959076 -1.710094 0.510612
C 2.340184 -2.789957 1.052253
H -3.847306 0.980409 -0.499042
H -1.210079 2.295585 -0.453954
H -1.341598 -0.657201 -1.240170
H -1.990653 0.747892 -2.117277
H -2.389563 -1.078782 1.274908
H -0.919281 0.705773 2.016646
H -2.129470 1.947308 1.650137
H -4.915670 -1.262895 -0.274525
H -3.396099 -2.041102 -0.862475
H -4.287057 0.938042 2.000644
H 0.254249 -0.918107 0.523205
H -4.987413 -1.510199 -2.650166
H 3.167136 2.562097 -1.123241
H 4.043072 -1.728971 0.339621
H 1.274856 -2.881518 1.281071


