%chk=000030601.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030601

0 1
 Br  -6.637100     -0.5649000     -0.1340000    
 O   0.2303000     -0.4582000      -1.418600    
 N    2.715600     -8.9800000E-02 -0.2782000    
 N  -0.7230000      0.7281000      0.3691000    
 C    1.640700      0.8503000      3.7400000E-02
 C    2.479300      -1.375300      0.3779000    
 C    4.009800      0.4594000      0.1246000    
 C   0.3166000      0.2845000     -0.4458000    
 C   -2.100800      0.4264000      0.2523000    
 C    3.534300      -2.377700      2.3700001E-02
 C    4.278400       1.777900     -0.5333000    
 C   -2.991800      0.9657000       1.164800    
 C   -2.528400     -0.4010000     -0.7728000    
 C   -4.350000      0.6692000       1.049100    
 C   -3.886500     -0.6974000     -0.8886000    
 C   -4.797300     -0.1624000      2.2399999E-02
 C    4.345300      -2.957100      0.9162000    
 C    4.464800       2.922400      0.1339000    
 H    1.605500       1.062100       1.113600    
 H    1.749300       1.801500     -0.4962000    
 H    2.421500      -1.248400       1.468000    
 H    1.532300      -1.832500      7.3600002E-02
 H    4.073600      0.5553000       1.217200    
 H    4.831000     -0.1966000     -0.1871000    
 H  -0.4871000       1.348500       1.140600    
 H    3.633900      -2.653500      -1.023500    
 H    4.333500       1.795800      -1.619200    
 H   -2.654000       1.614600       1.968000    
 H   -1.888000     -0.8527000      -1.515600    
 H   -5.046600       1.094200       1.767200    
 H   -4.220100      -1.347000      -1.694000    
 H    5.087100      -3.680200      0.5956000    
 H    4.286500      -2.722100       1.973100    
 H    4.660300       3.844700     -0.4020000    
 H    4.424400       2.961100       1.216800    


%chk=000030601-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000030601

0 1
Br -6.904229 -0.161727 -0.593918
O 0.227334 -0.716993 -1.049011
N 2.773652 -0.124613 0.157644
N -0.854103 0.599557 0.567297
C 1.589255 0.645205 0.523608
C 2.807606 -1.502581 0.707395
C 4.042607 0.627075 0.316616
C 0.277660 0.085793 -0.077057
C -2.226484 0.391710 0.257053
C 3.777208 -2.386929 -0.048474
C 4.129204 1.799937 -0.638217
C -3.190722 1.050018 1.067585
C -2.662562 -0.435379 -0.813262
C -4.569235 0.891440 0.822475
C -4.043538 -0.593056 -1.059248
C -4.984013 0.067383 -0.244031
C 4.732554 -3.159790 0.525881
C 4.456528 3.067924 -0.282839
H 1.453646 0.747673 1.637210
H 1.719079 1.674730 0.133457
H 3.050041 -1.518270 1.800098
H 1.792970 -1.926336 0.583671
H 4.204913 0.980295 1.366944
H 4.860741 -0.084234 0.089546
H -0.671532 1.211725 1.367673
H 3.638796 -2.386304 -1.138973
H 3.915119 1.554580 -1.688640
H -2.868246 1.692425 1.896849
H -1.924268 -0.943536 -1.435549
H -5.302905 1.402036 1.452321
H -4.375739 -1.230080 -1.883967
H 5.379009 -3.811939 -0.071793
H 4.888976 -3.168765 1.612420
H 4.538403 3.869289 -1.025487
H 4.665577 3.336639 0.760923


