%chk=000002446.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002446

0 1
 Br   3.487000       3.450000      0.3086000    
 O    2.338900      -2.449200     -0.3922000    
 O  -0.1524000      -1.651800     -0.6703000    
 N   -4.342700      9.7900003E-02 -4.4300001E-02
 N  -0.7044000      0.1037000      0.7420000    
 N    5.549200       1.095800     -0.1134000    
 C   -2.934000      0.4641000     -0.1879000    
 C   -4.839200      0.4843000       1.275900    
 C   -5.143300      0.7250000      -1.095200    
 C   -2.097600     -0.2211000      0.8827000    
 C   -6.282000      4.6599999E-02   1.439800    
 C   -4.622400      0.3197000      -2.460700    
 C   0.1672000     -0.6503000     -3.5200000E-02
 C    1.582200     -0.1983000     -5.6299999E-02
 C    2.594300      -1.119800     -0.2334000    
 C    1.836700       1.149500      0.1042000    
 C    3.916400     -0.6759000     -0.2508000    
 C    4.198700      0.6808000     -9.0700001E-02
 C    3.158900       1.593400      8.6800002E-02
 C    2.288500      -3.244400      0.7903000    
 H   -2.792800       1.552300     -0.1372000    
 H   -2.528800      0.1318000      -1.149400    
 H   -2.343100      0.1152000       1.892900    
 H   -2.219100      -1.309800      0.8406000    
 H   -4.303900     -3.5700001E-02   2.074400    
 H   -4.748500       1.562500       1.455900    
 H   -6.180300      0.3766000      -1.057300    
 H   -5.154500       1.818800      -1.010500    
 H  -0.3618000      0.8840000       1.292400    
 H   -6.568000      0.1173000       2.495700    
 H   -6.432200     -0.9947000       1.134000    
 H   -6.980500      0.6848000      0.8898000    
 H   -5.367800      0.5728000      -3.223700    
 H   -4.445100     -0.7593000      -2.530900    
 H   -3.708700      0.8539000      -2.739500    
 H    1.040300       1.880600      0.2069000    
 H    4.722300      -1.392900     -0.3906000    
 H    6.288100      0.4177000     -0.2427000    
 H    5.774800       2.075100      1.6000000E-03
 H    3.268900      -3.265200       1.276500    
 H    2.018200      -4.264800      0.5053000    
 H    1.533900      -2.864400       1.486200    


%chk=000002446-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002446

0 1
Br 3.482387 3.563632 1.010052
O 2.742210 -2.320468 -0.716230
O -0.313712 -1.163239 -1.031941
N -4.252156 0.399816 0.169251
N -0.599878 -0.220970 1.070437
N 5.602310 1.434685 -0.032132
C -2.796051 0.662330 0.212456
C -5.047996 1.263568 1.075684
C -4.801129 0.266488 -1.203867
C -2.061342 -0.415531 1.053267
C -6.377075 0.621262 1.520920
C -4.322884 -1.017491 -1.910133
C 0.189827 -0.580775 -0.014015
C 1.636373 -0.184990 0.091773
C 2.751694 -0.980164 -0.330425
C 1.913174 1.154887 0.494770
C 4.050669 -0.423671 -0.363253
C 4.318795 0.915474 0.017563
C 3.203408 1.688998 0.464737
C 1.637652 -3.227032 -0.363631
H -2.574000 1.671364 0.626511
H -2.370783 0.634790 -0.807540
H -2.431860 -0.408930 2.093916
H -2.287852 -1.401405 0.612165
H -4.433922 1.451639 1.977361
H -5.252869 2.266374 0.619074
H -5.903527 0.240567 -1.128181
H -4.545448 1.157136 -1.832925
H -0.148737 0.155515 1.904815
H -6.901006 1.279258 2.239468
H -6.183415 -0.352507 2.003982
H -7.059491 0.449239 0.669279
H -4.742218 -1.072829 -2.932407
H -4.652017 -1.907295 -1.344713
H -3.221569 -1.055802 -1.994361
H 1.078465 1.804280 0.777022
H 4.870003 -1.078692 -0.676556
H 6.374694 0.871279 -0.374309
H 5.779087 2.395182 0.252691
H 1.310937 -3.063965 0.681548
H 2.066363 -4.235738 -0.468133
H 0.784287 -3.079670 -1.043692


