%chk=000003795.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003795

0 1
 Br   5.094500       1.390600      -2.115900    
 O   -3.567400      -2.320700     -0.4558000    
 O   -5.258000     -0.1156000     -0.4829000    
 O    6.462200     -0.8484000     -0.4268000    
 N    1.021400     -0.4589000      0.6650000    
 N   -1.602300       2.741200      0.5918000    
 N   0.6149000       1.847100      0.8944000    
 C   -1.230600      0.3842000      0.3493000    
 C   -2.073500       1.507600      0.3383000    
 C   0.1101000      0.6260000      0.6362000    
 C   -1.734400     -0.9008000      8.2699999E-02
 C   -3.086400      -1.073900     -0.1971000    
 C   -3.422200       1.305400      5.5100001E-02
 C   -3.930900      3.0600000E-02 -0.2110000    
 C    2.393300     -0.5512000      0.3823000    
 C    2.978100      0.3025000     -0.5580000    
 C    3.185000      -1.497000       1.040700    
 C  -0.2840000       2.843900      0.8564000    
 C    4.341600      0.2112000     -0.8372000    
 C    4.548600      -1.588200      0.7615000    
 C    5.126800     -0.7342000     -0.1775000    
 C   -4.033300      -3.080700      0.6582000    
 C   -5.653500     -2.0600000E-02  -1.849800    
 H   -1.093700      -1.778800      7.8400001E-02
 H   -4.098700       2.158600      4.0800001E-02
 H   0.6617000      -1.262700       1.172400    
 H    2.369800       1.033200      -1.086500    
 H    2.748400      -2.168600       1.775900    
 H   8.9500003E-02   3.840200       1.059300    
 H    5.154300      -2.326800       1.279700    
 H   -3.219900      -3.255800       1.369400    
 H   -4.389400      -4.046300      0.2890000    
 H   -4.863100      -2.567900       1.154400    
 H   -5.411200      0.9685000      -2.251300    
 H   -6.736100     -0.1644000      -1.904000    
 H   -5.167000     -0.7983000      -2.446900    
 H    6.704100     -0.1874000      -1.098400    


%chk=000003795-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003795

0 1
Br 5.920024 2.141346 0.270155
O -3.693121 -2.372303 -0.092964
O -5.414245 -0.013566 -0.186070
O 6.787297 -0.921925 0.136381
N 1.143798 -0.427025 0.002880
N -1.516712 2.842604 0.067323
N 0.742053 1.910628 0.101902
C -1.174421 0.377686 0.003546
C -2.028452 1.542911 0.010921
C 0.262247 0.641503 0.038656
C -1.774475 -0.915646 -0.017453
C -3.164158 -1.065115 -0.060731
C -3.442262 1.374073 -0.062273
C -4.011001 0.100925 -0.123831
C 2.564444 -0.461434 0.040115
C 3.379828 0.698077 0.123800
C 3.182881 -1.743105 -0.010623
C -0.178458 2.937387 0.115438
C 4.774011 0.540709 0.155805
C 4.579546 -1.872290 0.022320
C 5.406317 -0.726280 0.107046
C -4.569025 -2.723412 1.054158
C -5.935818 -0.662055 -1.415407
H -1.194190 -1.844912 0.023724
H -4.078518 2.262386 -0.086733
H 0.710863 -1.348247 -0.072540
H 2.898566 1.676731 0.158864
H 2.566220 -2.648449 -0.076088
H 0.247792 3.944205 0.169168
H 5.061584 -2.852941 -0.016206
H -3.979305 -2.723460 1.989897
H -4.934371 -3.738637 0.839407
H -5.411507 -2.014919 1.139986
H -5.697311 -0.038580 -2.296988
H -7.025752 -0.713053 -1.275546
H -5.511097 -1.673879 -1.541943
H 7.255428 -0.046337 0.196005


