%chk=000086235.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086235

0 1
 Br   2.131200      0.8601000       2.015900    
 O    4.664900      -1.280000     -0.2747000    
 O   -1.837700       1.669300      -1.382300    
 N    1.049200     -0.5304000     -0.6637000    
 N   -3.165900     -0.2209000      0.3457000    
 N   -5.313800      0.2128000      0.5510000    
 C    2.486300     -0.2703000     -0.6462000    
 C    2.880300      0.9484000      0.1998000    
 C    4.400700       1.074300      0.2953000    
 C    3.257800      -1.524000     -0.2257000    
 C   0.3121000      0.6626000      -1.053300    
 C    5.070400     -0.2562000      0.6319000    
 C   -1.203400      0.4350000      -1.039500    
 C   -1.718600     -2.3000001E-03  0.3375000    
 C   -3.786900      -1.393000      7.4299999E-02
 C   -4.102100      0.7170000      0.6263000    
 C   -5.124400      -1.102400      0.2078000    
 H    2.804600     -4.6999998E-02  -1.675500    
 H    2.500200       1.887200     -0.2147000    
 H    4.700500       1.839700       1.020200    
 H    4.770600       1.399600     -0.6859000    
 H    2.983400      -1.871200      0.7775000    
 H    3.050600      -2.346900     -0.9193000    
 H   0.8398000      -1.295500      -1.304000    
 H   0.6117000      0.9865000      -2.058600    
 H   0.4893000       1.515900     -0.3925000    
 H    6.157000     -0.1511000      0.5472000    
 H    4.855900     -0.5739000       1.658400    
 H   -1.485900     -0.3046000      -1.798600    
 H   -1.519700      0.7671000       1.093800    
 H   -1.257100     -0.9382000      0.6711000    
 H   -1.532900       1.918000      -2.271600    
 H   -3.259300      -2.301200     -0.1821000    
 H   -3.861700       1.741100      0.8776000    
 H   -5.960300      -1.773200      7.3200002E-02


%chk=000086235-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000086235

0 1
Br 1.977664 0.389299 2.158880
O 4.516260 -1.483523 -0.447488
O -2.003705 1.928677 -1.664054
N 1.007525 -0.209786 -0.912408
N -3.037387 -0.102441 0.381978
N -5.276239 -0.439600 0.202528
C 2.464220 -0.110253 -0.750348
C 2.920164 0.840592 0.381311
C 4.447115 0.777651 0.576071
C 3.053411 -1.525674 -0.532833
C 0.261842 1.016707 -1.246342
C 4.953090 -0.671419 0.704142
C -1.261077 0.756324 -1.166397
C -1.723705 0.550143 0.284360
C -3.286075 -1.405641 0.841105
C -4.267864 0.436424 0.007246
C -4.665390 -1.593814 0.724376
H 2.968095 0.313674 -1.660585
H 2.583948 1.876340 0.214168
H 4.742421 1.370245 1.460115
H 4.917408 1.243299 -0.314062
H 2.611927 -1.968276 0.384000
H 2.832616 -2.176161 -1.397578
H 0.751651 -0.997374 -1.522806
H 0.504135 1.419667 -2.262163
H 0.513264 1.808404 -0.517122
H 6.053714 -0.712353 0.684197
H 4.586026 -1.127097 1.647103
H -1.516718 -0.146984 -1.764586
H -1.762736 1.542710 0.770091
H -0.973993 -0.064994 0.808345
H -1.904768 1.998362 -2.646775
H -2.489427 -2.047778 1.208801
H -4.358605 1.439024 -0.401070
H -5.252005 -2.472073 0.984097


