%chk=000063939.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063939

0 1
 Br   6.167400       1.223700      -1.340800    
 O    1.276000       2.072000      0.9172000    
 N   0.2467000     -3.0000001E-04   1.201400    
 N   -3.034100       1.972000     -0.8714000    
 N    1.342100      -2.003500      0.5375000    
 C   -1.931900      0.8960000      0.7098000    
 C  -0.9501000      0.5841000       1.786400    
 C   -2.936500      2.8200001E-02  0.2192000    
 C   -3.618800      0.7292000     -0.7775000    
 C   -2.008400       2.080500      2.9100001E-02
 C    1.284800      0.8494000      0.8099000    
 C    2.460000      0.1630000      0.2257000    
 C   -3.339900      -1.287900      0.5199000    
 C   -4.688600      0.1775000      -1.491400    
 C   0.3348000      -1.371400       1.043100    
 C    2.438700      -1.233800      0.1139000    
 C   -4.408400      -1.852700     -0.1860000    
 C   -5.070900      -1.129400      -1.175800    
 C    3.567700      0.8998000     -0.2058000    
 C    3.548200      -1.882700     -0.4390000    
 C    4.665100      0.2376000     -0.7543000    
 C    4.655900      -1.151200     -0.8711000    
 H  -0.6881000       1.494800       2.337900    
 H   -1.382900     -0.1204000       2.506200    
 H   -1.433400       2.993400      9.7599998E-02
 H   -3.321200       2.698700      -1.512400    
 H   -2.847400      -1.865700       1.295700    
 H  -0.5399000      -1.932600       1.399900    
 H   -5.205000      0.7398000      -2.262000    
 H   -4.725800      -2.866400      4.3699998E-02
 H   -5.898800      -1.587300      -1.711100    
 H    3.578000       1.983200     -0.1165000    
 H    3.556300      -2.965700     -0.5368000    
 H    5.504100      -1.681400      -1.296800    


%chk=000063939-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063939

0 1
Br 6.262338 1.372267 -1.383238
O 1.168618 2.077963 0.881879
N 0.320273 -0.085936 1.219354
N -3.053819 1.984289 -0.942047
N 1.523173 -2.086253 0.596124
C -1.954064 0.844465 0.697625
C -0.949889 0.504300 1.765284
C -3.039352 0.009342 0.209260
C -3.716108 0.754413 -0.821403
C -1.996574 2.035996 -0.029292
C 1.333117 0.823183 0.783839
C 2.529670 0.159258 0.230782
C -3.517383 -1.286276 0.542972
C -4.836282 0.245394 -1.513810
C 0.468426 -1.465848 1.094790
C 2.582255 -1.271477 0.151274
C -4.633635 -1.800356 -0.143992
C -5.285714 -1.043546 -1.162404
C 3.618949 0.947977 -0.224408
C 3.741546 -1.890595 -0.394039
C 4.743074 0.303222 -0.752085
C 4.818966 -1.112958 -0.844798
H -0.647438 1.408353 2.318186
H -1.360529 -0.227222 2.483577
H -1.329069 2.892992 0.036404
H -3.301252 2.725113 -1.594407
H -3.033557 -1.881905 1.326365
H -0.378338 -2.064423 1.447159
H -5.341973 0.823824 -2.294980
H -5.012369 -2.798061 0.103432
H -6.151301 -1.472237 -1.679140
H 3.546721 2.036657 -0.148712
H 3.767276 -2.982505 -0.450363
H 5.709945 -1.588910 -1.263789


