%chk=000118211.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118211

0 1
 Br   3.050100      -2.256900      -2.449400    
 O   -6.984700     -0.4870000      -1.485700    
 O   -8.376100     -0.8249000      0.8978000    
 O   -2.646900      -2.629400     -0.3880000    
 O   -2.250300       3.863300     -0.5866000    
 O    3.778000       1.159500       2.977000    
 O    1.887200      0.4502000       2.116200    
 O    7.958500      0.2304000      0.8279000    
 O    8.010900     -0.9188000      -1.041800    
 N   -4.314200     -0.3629000     -0.4115000    
 N  -0.3779000       2.431500     -0.5941000    
 N    1.265000      0.1241000     -0.5672000    
 N    1.784100     -0.8424000      3.7400000E-02
 N    3.136100      0.5512000       2.089100    
 N    7.379000     -0.3932000     -9.3800001E-02
 C   -5.213400      0.7681000     -0.4217000    
 C   -6.672500      0.3180000     -0.3481000    
 C   -2.934500     -0.2475000     -0.4501000    
 C   -6.994600     -0.4784000      0.9127000    
 C   -2.099600      -1.382100     -0.4377000    
 C   -2.327700       1.022300     -0.5030000    
 C  -0.9396000       1.153000     -0.5418000    
 C  -0.1313000      1.6100001E-02 -0.5286000    
 C  -0.7114000      -1.251400     -0.4766000    
 C   -1.040000       3.664700     -0.6143000    
 C    3.184700     -0.7338000     -1.7000000E-03
 C   -8.732800      -1.584200       2.043400    
 C   -2.875700      -3.184900      0.9051000    
 C    3.850100     -4.5400001E-02   1.012100    
 C    3.907500      -1.309400      -1.046000    
 C    5.240200      6.7400001E-02  0.9815000    
 C    5.963800     -0.5082000     -6.2700003E-02
 C    5.297400      -1.196600      -1.076500    
 C  -6.9499999E-02   4.817600     -0.6732000    
 H   -5.072100       1.335000      -1.350100    
 H   -5.008700       1.429100      0.4289000    
 H   -7.330700       1.193600     -0.3951000    
 H   -4.701600      -1.298400     -0.4655000    
 H   -6.773500      0.1184000       1.805000    
 H   -6.412600      -1.406300      0.9469000    
 H   -2.980400       1.879600     -0.5138000    
 H  -0.1169000      -2.162200     -0.4891000    
 H   -6.795200      4.1400000E-02  -2.279700    
 H   0.6396000       2.454500     -0.6204000    
 H   -8.173100      -2.524200       2.071400    
 H   -8.551300      -1.009800       2.957100    
 H   -9.799600      -1.816300       1.984200    
 H   -3.555300      -2.553100       1.485600    
 H   -1.929200      -3.308500       1.440900    
 H   -3.336400      -4.168400      0.7785000    
 H    5.763700      0.6034000       1.769900    
 H    5.846000      -1.651600      -1.898400    
 H   0.5698000       4.808100      0.2141000    
 H  -0.6183000       5.762900     -0.7060000    
 H   0.5497000       4.735800      -1.570900    


%chk=000118211-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000118211

0 1
Br 3.082783 1.223010 -2.326997
O -6.940029 -1.510806 -0.955928
O -8.310104 -0.636295 1.190814
O -2.921974 -2.524644 0.077629
O -2.399012 3.864049 -1.481754
O 3.925661 -2.352238 3.152620
O 2.145635 -0.955959 2.842908
O 8.139343 -1.004714 1.119194
O 8.112821 0.141295 -0.860869
N -4.459785 -0.520351 -0.679323
N -0.576771 2.513176 -0.884207
N 1.000134 0.534841 -0.103821
N 1.819742 -0.414687 0.298754
N 3.303189 -1.418405 2.504939
N 7.521434 -0.408069 0.152055
C -5.498899 0.413955 -1.117620
C -6.869127 -0.080810 -0.620410
C -3.128180 -0.237159 -0.564364
C -7.070378 0.093940 0.894876
C -2.245913 -1.318990 -0.145918
C -2.582328 1.051292 -0.820684
C -1.204372 1.276649 -0.654278
C -0.335128 0.194656 -0.240279
C -0.884979 -1.105572 0.004920
C -1.156987 3.724815 -1.265783
C 3.191676 -0.226568 0.275091
C -8.616798 -0.697335 2.620903
C -2.117134 -3.679070 0.496598
C 3.975670 -0.849224 1.317658
C 3.956956 0.357217 -0.800009
C 5.373896 -0.934810 1.287522
C 6.051574 -0.350847 0.203660
C 5.352360 0.298787 -0.842751
C -0.176623 4.885833 -1.383567
H -5.518192 0.482043 -2.223933
H -5.303216 1.427874 -0.722954
H -7.668558 0.473576 -1.152976
H -4.767784 -1.495831 -0.575218
H -7.172948 1.167301 1.161253
H -6.221155 -0.346045 1.460988
H -3.204765 1.880107 -1.157900
H -0.195207 -1.886883 0.334014
H -7.697402 -1.882581 -0.428218
H 0.440629 2.468679 -0.722798
H -7.807065 -1.205759 3.184091
H -8.767604 0.318297 3.039696
H -9.550361 -1.273137 2.712582
H -1.615427 -3.477423 1.461434
H -1.363222 -3.929721 -0.272997
H -2.832094 -4.506433 0.607413
H 5.920495 -1.430540 2.092937
H 5.922031 0.740649 -1.663970
H -0.299800 5.556563 -0.513813
H -0.421106 5.469714 -2.285619
H 0.878196 4.565593 -1.431988


