%chk=000048092.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048092

0 1
 Br  -1.839200       2.382100      -2.651300    
 O   0.7660000      -1.075900     -0.4083000    
 O  -0.8368000      -2.105900      0.8851000    
 N    3.853900      0.4926000      0.4962000    
 C    3.129600      -1.692400     -0.5456000    
 C    3.373800     -0.1681000     -0.7146000    
 C    1.745600      -1.985200      7.6800004E-02
 C    3.207300      -2.338900      -1.944700    
 C    4.215600      -2.329000      0.3420000    
 C    4.601400       1.703900      0.1579000    
 C    2.735400      0.8150000       1.382600    
 C   -1.430800     -0.1876000     -0.5142000    
 C    3.715700       2.716600     -0.5478000    
 C    3.223600       1.445800       2.675700    
 C  -0.5044000      -1.245300      8.0499999E-02
 C  -0.8655000       1.221800     -0.2142000    
 C   -2.868400     -0.3744000     -4.9800001E-02
 C   -3.739400      -1.179100     -0.7844000    
 C   -3.314700      0.2587000       1.110300    
 C   -1.679900       2.356600     -0.7859000    
 C   -5.056700      -1.350600     -0.3589000    
 C   -4.632000      8.7099999E-02   1.535800    
 C   -5.502900     -0.7176000      0.8011000    
 C   -2.297300       3.270100     -2.4400000E-02
 H    2.503200      0.3291000      -1.158500    
 H    4.163200     -7.7200003E-02  -1.475400    
 H    1.776700      -1.950900       1.170600    
 H    1.436800      -3.006700     -0.1835000    
 H    3.030000      -3.419200      -1.893900    
 H    4.192700      -2.191000      -2.401000    
 H    2.456800      -1.909800      -2.618200    
 H    5.218400      -2.114800     -4.4799998E-02
 H    4.101400      -3.419000      0.3730000    
 H    4.168700      -1.974700       1.377400    
 H    5.443600       1.443600     -0.4966000    
 H    5.075600       2.152800       1.037100    
 H    2.235100     -9.6100003E-02   1.703100    
 H    1.963300       1.438100      0.9217000    
 H   -1.409400     -0.3585000      -1.599300    
 H    3.263500       2.339800      -1.469300    
 H    2.930800       3.129000      9.2200004E-02
 H    4.336000       3.570800     -0.8458000    
 H    4.046400      0.8747000       3.119800    
 H    3.543900       2.483500       2.543000    
 H    2.407700       1.461700       3.407200    
 H  -0.7134000       1.354900      0.8652000    
 H   0.1432000       1.306400     -0.6404000    
 H   -3.403900      -1.679600      -1.688800    
 H   -2.658100      0.8574000       1.732300    
 H   -5.734600      -1.978000     -0.9302000    
 H   -4.977200      0.5720000       2.444200    
 H   -6.527900     -0.8531000       1.133700    
 H   -2.894200       4.065400     -0.4590000    
 H   -2.214300       3.251400       1.057100    


%chk=000048092-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048092

0 1
Br -3.148255 3.953627 1.313597
O 0.651523 0.295759 1.322199
O -0.851543 -0.915920 2.642362
N 3.836551 0.454985 -0.177322
C 2.383953 -1.434020 0.757640
C 2.855163 -0.612874 -0.490543
C 1.820838 -0.489452 1.840173
C 1.315815 -2.460782 0.306961
C 3.594806 -2.157908 1.401431
C 5.189021 0.252945 -0.753312
C 3.290419 1.832851 -0.295855
C -1.676483 0.824303 1.082675
C 5.321874 0.491644 -2.283110
C 4.152964 2.891026 0.418205
C -0.618028 -0.033038 1.782698
C -2.830801 1.132012 2.089999
C -2.180692 0.108760 -0.178014
C -2.195584 0.783651 -1.422892
C -2.660677 -1.225251 -0.112161
C -3.854255 2.104594 1.561034
C -2.685282 0.141509 -2.583169
C -3.148399 -1.867999 -1.271051
C -3.163233 -1.186931 -2.510988
C -5.148513 1.864019 1.263236
H 1.956105 -0.182654 -0.978597
H 3.288952 -1.334510 -1.214124
H 2.575508 0.271927 2.098252
H 1.493969 -1.048428 2.734892
H 0.938322 -3.044994 1.165917
H 1.746166 -3.168730 -0.426364
H 0.451990 -1.963619 -0.171810
H 4.037856 -2.875327 0.685359
H 3.293549 -2.725155 2.302263
H 4.372351 -1.426454 1.687408
H 5.499056 -0.782505 -0.518473
H 5.899267 0.913985 -0.221400
H 2.285504 1.823414 0.162620
H 3.144812 2.138003 -1.362588
H -1.194121 1.770818 0.784176
H 4.637353 -0.163535 -2.853434
H 5.092340 1.538982 -2.551539
H 6.354602 0.276583 -2.616279
H 4.320448 2.603245 1.472038
H 5.139078 3.022523 -0.063160
H 3.641572 3.871051 0.400184
H -3.343738 0.187650 2.346826
H -2.389811 1.526369 3.025315
H -1.830298 1.815838 -1.482560
H -2.638752 -1.763585 0.843450
H -2.693942 0.677215 -3.539058
H -3.511994 -2.899974 -1.208746
H -3.541358 -1.686279 -3.410094
H -5.827456 2.633926 0.889186
H -5.544612 0.849015 1.389345


