%chk=000002044.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002044

0 1
 Br   1.628700       3.778300      7.6899998E-02
 O    3.320900       1.181400      0.2890000    
 N   -5.422700     -0.6496000     -0.9323000    
 N   -2.615600     -0.1932000       2.509700    
 C    2.558400      -1.525200     -3.2900002E-02
 C    1.566300     -0.3594000     -0.1780000    
 C    1.825400      -2.863500     -0.2684000    
 C    3.161900      -1.520000       1.388400    
 C    3.738400      -1.469500      -1.029600    
 C   0.2613000     -0.6690000     -0.4763000    
 C    2.013100      0.9272000     -6.8000001E-03
 C  -0.6536000      0.3750000     -0.6120000    
 C    1.098100       1.971300     -0.1425000    
 C  -0.2353000       1.695200     -0.4451000    
 C   -2.044000      8.6700000E-02 -0.9274000    
 C   -3.042000     -0.1591000     -4.2700000E-02
 C   -4.354700     -0.4298000     -0.5346000    
 C   -2.804700     -0.1769000       1.364700    
 H    1.423400      -2.955000      -1.284800    
 H    2.528900      -3.699300     -0.1542000    
 H    1.035300      -3.049900      0.4691000    
 H    2.374600      -1.476100       2.150600    
 H    3.733200      -2.439400       1.566900    
 H    3.851200     -0.6929000       1.576900    
 H    4.363100      -2.367400     -0.9523000    
 H    3.370800      -1.408700      -2.060900    
 H    4.399000     -0.6128000     -0.8709000    
 H  -0.1309000      -1.666900     -0.6214000    
 H  -0.9513000       2.507900     -0.5519000    
 H   -2.261300      8.4200002E-02  -1.995000    
 H    3.435200       2.143900      0.3700000    


%chk=000002044-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000002044

0 1
Br 2.005860 3.939553 -0.642690
O 3.486891 1.241022 -0.119427
N -5.598100 -0.210259 -0.658848
N -2.227046 -3.027525 0.040813
C 2.513478 -1.491780 0.207082
C 1.585557 -0.278849 -0.051750
C 1.707958 -2.812046 0.338814
C 3.300050 -1.276538 1.537039
C 3.509135 -1.655411 -0.983350
C 0.188656 -0.426159 -0.145603
C 2.114995 1.048253 -0.204665
C -0.704969 0.664390 -0.381269
C 1.231391 2.138514 -0.439485
C -0.151077 1.970476 -0.529301
C -2.152157 0.557335 -0.486318
C -2.995231 -0.544819 -0.392874
C -4.417066 -0.363835 -0.539558
C -2.564197 -1.895553 -0.156050
H 1.144851 -3.057525 -0.580334
H 2.415480 -3.640343 0.522045
H 0.998310 -2.791606 1.186300
H 2.606518 -1.183015 2.393056
H 3.952108 -2.150287 1.720662
H 3.932244 -0.375944 1.495118
H 4.162573 -2.527246 -0.795533
H 2.964848 -1.835029 -1.928816
H 4.146614 -0.765971 -1.105962
H -0.224216 -1.427296 -0.031509
H -0.801864 2.831557 -0.710549
H -2.670729 1.508436 -0.670648
H 3.710235 2.205000 -0.244185


