%chk=000003183.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003183

0 1
 Br  -2.948800       4.362200      0.6178000    
 O    1.767900      2.8700000E-02 -0.8973000    
 O    3.702900      0.1743000       2.122000    
 O    3.434500       2.071600      -1.880900    
 O  -0.4113000      -3.387400     -0.2546000    
 O   -4.232800     -0.8405000     -0.1269000    
 N  -0.1746000      -1.066600     -0.1772000    
 N   -2.307300      -2.099500     -0.1900000    
 C    3.186700     -0.4003000      0.9399000    
 C    1.258100      -1.116300     -0.1951000    
 C    1.870300      -1.095100       1.193500    
 C    2.778900      0.6469000     -8.3899997E-02
 C    3.926500       1.111200     -0.9630000    
 C  -0.8229000      0.1616000     -0.1270000    
 C  -0.9186000      -2.264600     -0.2105000    
 C   -2.153200      0.3201000     -0.1070000    
 C   -3.005900     -0.9020000     -0.1406000    
 C   -2.763200       1.623700     -5.4699998E-02
 C   -2.187300       2.672100      0.5354000    
 H    3.914800      -1.111300      0.5312000    
 H    1.596200      -2.004600     -0.7420000    
 H    1.987100      -2.096100       1.620900    
 H    1.265100     -0.5191000       1.905800    
 H    2.318800       1.518200      0.3998000    
 H    4.350200      0.2838000      -1.541500    
 H    4.722000       1.572900     -0.3712000    
 H    4.503700      0.6704000       1.881800    
 H  -0.1682000       1.025200     -0.1015000    
 H   -2.863900      -2.949400     -0.2139000    
 H    2.725000       1.649900      -2.395500    
 H   -3.737700       1.729700     -0.5243000    
 H   -1.230300       2.636400       1.040700    


%chk=000003183-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003183

0 1
Br -3.421085 4.408770 0.786067
O 1.836266 0.002397 -0.919331
O 3.616644 0.337035 2.278761
O 3.627611 1.856652 -2.161730
O -0.365935 -3.347006 -0.685204
O -4.307132 -0.885680 -0.215842
N -0.196871 -1.048714 -0.177771
N -2.309096 -2.057936 -0.452546
C 3.240492 -0.326189 1.032249
C 1.283644 -1.137833 -0.154323
C 1.900201 -1.048260 1.258152
C 2.913524 0.665622 -0.116420
C 4.057034 0.964830 -1.087295
C -0.829140 0.165639 0.063429
C -0.921416 -2.237243 -0.462112
C -2.202585 0.324258 0.061849
C -3.044685 -0.864802 -0.199744
C -2.919514 1.584817 0.299047
C -2.357674 2.809728 0.459668
H 4.024830 -1.041457 0.702046
H 1.532556 -2.081815 -0.666023
H 2.015103 -2.038930 1.723237
H 1.281201 -0.417720 1.921756
H 2.508929 1.605243 0.310967
H 4.454420 0.007404 -1.489200
H 4.870490 1.504347 -0.569617
H 4.554681 0.649149 2.229810
H -0.147547 1.003764 0.226734
H -2.864315 -2.897962 -0.646091
H 2.853031 1.431655 -2.613221
H -4.010772 1.473024 0.330890
H -1.290190 3.043316 0.422010


