%chk=000063594.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063594

0 1
 Br   5.319200       2.462800     -0.1373000    
 O   0.1122000       1.577600       1.151900    
 N  -0.4245000     -0.6364000      0.6118000    
 N   -4.072500      0.1208000      0.3849000    
 N    1.232600      -2.056200     -0.3328000    
 C   -1.803300     -0.4839000       1.074200    
 C   -2.693800     -1.4200000E-02 -7.2200000E-02
 C   -4.934500      0.5785000     -0.6955000    
 C   2.6200000E-02  -1.849300      9.4599999E-02
 C   0.4251000      0.4763000      0.7082000    
 C    1.805200      0.2590000      0.2246000    
 C    2.150100     -0.9992000     -0.2753000    
 C   -4.459200       1.932800      -1.214000    
 C   -6.374200      0.6569000     -0.1977000    
 C  -0.9497000      -3.000100      2.4200000E-02
 C    2.745500       1.294600      0.2681000    
 C    3.455700      -1.209700     -0.7334000    
 C    4.042300       1.070300     -0.1921000    
 C    4.397600     -0.1805000     -0.6922000    
 H   -2.173700      -1.421100       1.499800    
 H   -1.826700      0.2551000       1.885000    
 H   -2.287000      0.9446000     -0.4098000    
 H   -2.636800     -0.7066000     -0.9190000    
 H   -4.912800     -0.1435000      -1.522000    
 H   -4.405900     -0.7760000      0.7377000    
 H   -5.219400       2.376800      -1.867500    
 H   -4.280600       2.642500     -0.3981000    
 H   -3.549700       1.854600      -1.818100    
 H   -6.722900     -0.3195000      0.1571000    
 H   -7.046200      0.9741000      -1.002600    
 H   -6.475900       1.372700      0.6260000    
 H   -1.862300      -2.722600     -0.5046000    
 H   -1.198500      -3.335300       1.035000    
 H  -0.4955000      -3.842600     -0.5072000    
 H    2.471900       2.272000      0.6580000    
 H    3.747600      -2.180700      -1.126700    
 H    5.404300     -0.3721000      -1.054700    


%chk=000063594-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063594

0 1
Br 4.915197 2.783290 -1.072071
O -0.444711 1.569397 0.066395
N -0.523771 -0.748666 0.444458
N -4.221708 -0.354156 -0.410213
N 1.427941 -2.153026 0.257509
C -1.989878 -0.603308 0.669226
C -2.791955 -0.591956 -0.664033
C -4.777098 0.980186 -0.763101
C 0.128242 -1.997072 0.488683
C 0.174350 0.462812 0.125665
C 1.616613 0.292430 -0.113128
C 2.192606 -1.014937 -0.042558
C -4.153137 2.092282 0.108338
C -6.308894 0.932154 -0.593874
C -0.682478 -3.226139 0.830829
C 2.417388 1.424150 -0.418738
C 3.587502 -1.166957 -0.284280
C 3.784726 1.237023 -0.648293
C 4.383271 -0.051192 -0.584805
H -2.349361 -1.413342 1.320201
H -2.151910 0.356485 1.182597
H -2.363122 0.192759 -1.320567
H -2.646020 -1.562355 -1.180448
H -4.551529 1.226192 -1.832444
H -4.824287 -1.118069 -0.732347
H -4.566379 3.076095 -0.181645
H -4.384720 1.912897 1.174654
H -3.055386 2.142506 -0.008416
H -6.765389 0.157019 -1.240378
H -6.758480 1.903617 -0.864704
H -6.568837 0.705889 0.456372
H -1.558241 -3.348811 0.169024
H -1.051447 -3.195229 1.872993
H -0.023495 -4.098765 0.720396
H 1.941711 2.407896 -0.466147
H 4.017436 -2.171009 -0.227811
H 5.455149 -0.167591 -0.769041


