%chk=000032574.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000032574

0 1
 Br  -6.684600     -0.2944000      0.9351000    
 N   5.2999998E-03  0.3643000     -4.8000002E-03
 C    2.463200      0.4669000      0.6838000    
 C    3.768000      0.1469000     -0.1150000    
 C    3.141100      -1.145300     -0.7018000    
 C    1.385800      0.5015000     -0.4492000    
 C    2.255700     -0.8325000       1.516500    
 C    1.833100     -0.6551000      -1.370200    
 C    2.715600      -1.938700      0.5528000    
 C    2.482300       1.717100       1.545300    
 C    5.033800     -0.1002000      0.7305000    
 C    4.167800       1.192200      -1.177100    
 C  -0.9069000      0.3345000      -1.140000    
 C   -2.310500      0.1819000     -0.6345000    
 C   -2.845700      -1.089900     -0.4603000    
 C   -3.065900       1.313200     -0.3450000    
 C   -4.151700      -1.232000      8.7000001E-03
 C   -4.371900       1.171200      0.1241000    
 C   -4.914700     -0.1016000      0.3010000    
 H    3.781100      -1.717600      -1.377400    
 H    1.464200       1.453600     -0.9895000    
 H    1.219500     -0.9816000       1.836000    
 H    2.866400     -0.8362000       2.426300    
 H    1.121200      -1.484100      -1.444100    
 H    2.013300     -0.2910000      -2.387600    
 H    3.555000      -2.500200      0.9765000    
 H    1.914700      -2.656600      0.3468000    
 H    1.541400       1.832600       2.093800    
 H    3.290100       1.679300       2.283300    
 H    2.626600       2.616700      0.9384000    
 H    5.835800     -0.5103000      0.1058000    
 H    4.896200     -0.7950000       1.561500    
 H    5.397300      0.8383000       1.164600    
 H    5.021900      0.8302000      -1.761800    
 H    4.467500       2.132500     -0.7007000    
 H    3.386900       1.435500      -1.899900    
 H  -0.2279000       1.143700      0.6101000    
 H  -0.7056000     -0.4875000      -1.835100    
 H  -0.8278000       1.259300      -1.726600    
 H   -2.260100      -1.977800     -0.6830000    
 H   -2.653100       2.309600     -0.4775000    
 H   -4.559500      -2.230900      0.1412000    
 H   -4.953000       2.062300      0.3473000    


%chk=000032574-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000032574

0 1
Br -6.866791 -0.548209 0.857632
N 0.048529 0.333568 -0.010229
C 2.500922 0.377496 0.690601
C 3.826745 0.096428 -0.141478
C 3.211913 -1.162092 -0.855300
C 1.448257 0.508409 -0.467238
C 2.251591 -1.005037 1.383596
C 1.905726 -0.593718 -1.492504
C 2.782702 -2.055427 0.344725
C 2.525081 1.568881 1.655326
C 5.059423 -0.215477 0.742333
C 4.248060 1.228413 -1.113747
C -0.964793 0.680770 -1.031565
C -2.382589 0.400351 -0.549917
C -2.668047 -0.751247 0.226457
C -3.447583 1.268969 -0.892282
C -3.986065 -1.039420 0.644903
C -4.774747 0.997168 -0.486057
C -5.025469 -0.159058 0.278999
H 3.879025 -1.665240 -1.576966
H 1.572003 1.520106 -0.926936
H 1.177216 -1.142909 1.591129
H 2.793768 -1.062372 2.344997
H 1.134844 -1.379907 -1.586511
H 2.085948 -0.172295 -2.497649
H 3.635998 -2.631403 0.745825
H 2.004126 -2.781167 0.049339
H 1.575552 1.657979 2.219282
H 3.330496 1.458789 2.405355
H 2.684196 2.524716 1.120536
H 5.878041 -0.628487 0.122556
H 4.851233 -0.939711 1.546697
H 5.440102 0.709640 1.215443
H 5.169792 0.936607 -1.652235
H 4.474769 2.157610 -0.556575
H 3.486391 1.469085 -1.872988
H -0.127393 0.853647 0.862631
H -0.753659 0.062403 -1.927756
H -0.896151 1.745185 -1.371477
H -1.842097 -1.413853 0.504796
H -3.247247 2.171632 -1.482340
H -4.198169 -1.931072 1.242166
H -5.589745 1.675049 -0.755275


