%chk=000042456.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042456

0 1
 Br   5.801000     -0.4743000     -0.8171000    
 O   0.2533000     -0.2909000       1.590000    
 O  -0.4632000      -1.102700      -1.182100    
 O   -1.074900       3.044700      -1.489400    
 O   -2.074600       2.934400      0.4700000    
 N   -1.211300       2.586600     -0.3469000    
 C  -0.7712000      0.6008000       1.090000    
 C   -1.866700     -0.2784000      0.5773000    
 C  -0.2979000       1.575100      6.2199999E-02
 C    1.862300      0.6263000     -8.5000005E-03
 C    1.489900     -0.2743000      0.9983000    
 C   0.9162000       1.630900     -0.4781000    
 C   -1.663000      -1.090900     -0.5364000    
 C   -3.099400     -0.2772000       1.227600    
 C    3.153200      0.5613000     -0.5464000    
 C    2.402500      -1.226300       1.460400    
 C   -2.695700      -1.905000      -1.001900    
 C   -4.132100      -1.091300      0.7622000    
 C    4.060400     -0.3934000     -8.4399998E-02
 C    3.685500      -1.285800      0.9181000    
 C   -3.930200      -1.905100     -0.3526000    
 C  -0.3441000      -1.964400      -2.312300    
 H   -1.103800       1.152400       1.978700    
 H    1.251100       2.362300      -1.204200    
 H   -3.273600      0.3507000       2.097200    
 H    3.450700       1.258600      -1.327300    
 H    2.119000      -1.926300       2.242100    
 H   -2.612500      -2.562400      -1.860400    
 H   -5.093400      -1.091500       1.267600    
 H    4.381300      -2.034100       1.289000    
 H   -4.735200      -2.538400     -0.7140000    
 H   -1.026600      -1.671300      -3.117300    
 H  -0.4558000      -3.017100      -2.031100    
 H   0.6732000      -1.846100      -2.699900    


%chk=000042456-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042456

0 1
Br 5.761122 -0.714892 -1.116731
O 0.300005 -0.141297 1.677685
O -0.405096 -1.121934 -1.076934
O -0.890213 3.662489 -1.097926
O -2.334991 2.858933 0.486877
N -1.226454 2.799879 -0.191955
C -0.844274 0.662284 1.100931
C -1.922648 -0.268436 0.560912
C -0.324062 1.695165 0.112418
C 1.856160 0.620323 -0.081057
C 1.501812 -0.252975 0.993633
C 0.918121 1.655062 -0.458681
C -1.693934 -1.155243 -0.531732
C -3.199095 -0.262092 1.166027
C 3.128097 0.480855 -0.701468
C 2.413153 -1.229115 1.452651
C -2.723528 -2.006809 -0.997981
C -4.234725 -1.106056 0.709768
C 4.012499 -0.509839 -0.250684
C 3.669274 -1.363112 0.827305
C -3.990568 -1.977053 -0.374378
C -0.099795 -2.011414 -2.201828
H -1.261253 1.180044 1.980865
H 1.197764 2.431352 -1.179152
H -3.383271 0.429888 1.995395
H 3.404130 1.150151 -1.522607
H 2.128760 -1.876394 2.286580
H -2.550102 -2.687781 -1.836235
H -5.217927 -1.079603 1.189382
H 4.374255 -2.123831 1.174744
H -4.784670 -2.637366 -0.740013
H -0.738364 -1.782538 -3.076030
H -0.219328 -3.073203 -1.914361
H 0.953549 -1.808542 -2.445024


