%chk=000131393.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131393

0 1
 Br   7.101300      0.2899000      6.9499999E-02
 O   -3.469000       2.344600      0.1108000    
 O   -1.308000       1.999900     -6.3400000E-02
 N   -1.856300     -0.7832000      0.3426000    
 N    2.987100     -0.2172000     -0.3738000    
 N   -3.805000     -0.3577000     -0.6019000    
 N   -2.490100       1.553200     -1.2200000E-02
 C   0.5739000     -0.5076000     -5.9999999E-02
 C  -0.5564000     -0.5626000      0.9674000    
 C    1.923300     -0.2880000      0.6207000    
 C    4.281400     -1.8400000E-02  0.2629000    
 C   -2.716500      0.1742000     -9.1700003E-02
 C   -2.410900      -1.999400      0.1041000    
 C    5.366400      8.4700003E-02 -0.7924000    
 C   -3.621100      -1.712400     -0.4825000    
 H   0.5974000      -1.448100     -0.6264000    
 H   0.3916000      0.2844000     -0.7953000    
 H  -0.6076000      0.3362000       1.589600    
 H  -0.3948000      -1.402300       1.655400    
 H    2.113300      -1.114600       1.316100    
 H    1.888200      0.6410000       1.203000    
 H    2.800300      0.5462000      -1.023600    
 H    4.498700     -0.8584000      0.9344000    
 H    4.271400      0.8949000      0.8713000    
 H   -1.925800      -2.932000      0.3567000    
 H    5.433000     -0.8181000      -1.406900    
 H    5.234900      0.9570000      -1.439300    
 H   -4.368800      -2.412500     -0.8256000    


%chk=000131393-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000131393

0 1
Br 7.272548 -0.079926 -0.245591
O -3.597629 2.326071 -0.368413
O -1.497159 2.003260 0.481999
N -1.865524 -0.807373 0.355600
N 3.004288 0.100236 -0.257109
N -3.869647 -0.448518 -0.694893
N -2.631803 1.566502 0.001642
C 0.585669 -0.356789 0.009849
C -0.549697 -0.617827 1.021033
C 1.938247 -0.175259 0.728069
C 4.384752 0.166584 0.266515
C -2.794519 0.132560 -0.118496
C -2.404215 -2.050057 0.041714
C 5.343481 -0.168280 -0.885061
C -3.633025 -1.811003 -0.600925
H 0.666258 -1.193194 -0.708800
H 0.345456 0.560421 -0.560263
H -0.632894 0.227919 1.720883
H -0.348314 -1.538489 1.598765
H 2.206289 -1.106992 1.265381
H 1.838769 0.627671 1.500444
H 2.773482 0.905180 -0.854348
H 4.494954 -0.593244 1.061193
H 4.655996 1.148670 0.715542
H -1.890284 -2.974030 0.295566
H 5.192464 -1.191508 -1.256662
H 5.286606 0.556761 -1.712209
H -4.342650 -2.535648 -0.991926


