%chk=000176576.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176576

0 1
 Br  -2.224700      -3.799300      -1.857100    
 F   -5.172800       1.364400     -0.2756000    
 F   -3.997800      0.3125000      -1.764600    
 F   -4.139500     -0.4731000      0.2581000    
 O    2.676600      -2.663600     -0.4300000    
 O    4.361100       2.850100     -0.6100000    
 O    4.517100      -1.596800      0.3416000    
 O    5.284100      0.7855000     -0.5315000    
 N   0.8619000       1.064200      7.9200000E-02
 N    1.919700       1.859300     -0.1555000    
 C    1.174300     -0.2628000      0.1714000    
 C  -0.4080000       1.630400      0.2040000    
 C    2.535600     -0.3360000     -1.7800000E-02
 C   0.2100000      -1.306800      0.4191000    
 C    2.939200      0.9984000     -0.2137000    
 C   -1.524600      0.8965000     -0.1724000    
 C  -0.5358000       2.919700      0.7026000    
 C   -2.793300       1.462900     -4.8000000E-02
 C  -0.4280000      -1.936100     -0.6499000    
 C  -8.3600000E-02  -1.687400       1.728400    
 C   -1.804500       3.486000      0.8269000    
 C   -2.933300       2.757600      0.4516000    
 C    3.328200      -1.530800     -9.1000004E-03
 C   -4.000600      0.6851000     -0.4505000    
 C   -1.359500      -2.946100     -0.4094000    
 C   -1.015200      -2.697200       1.968900    
 C    4.266500       1.490100     -0.4567000    
 C   -1.653100      -3.326500      0.9000000    
 H   -1.504300     -1.1700000E-02 -0.7363000    
 H   0.3230000       3.508200       1.014300    
 H  -0.1850000      -1.655200      -1.673800    
 H   0.4048000      -1.206500       2.572700    
 H   -1.913700       4.493200       1.218400    
 H   -3.912800       3.215700      0.5563000    
 H   -1.244100      -2.993200       2.988500    
 H   -2.376900      -4.111200       1.104800    
 H    3.263500      -3.449300     -0.4029000    
 H    5.286500       3.132000     -0.7729000    


%chk=000176576-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000176576

0 1
Br -1.180891 -5.016357 -1.470874
F -5.176674 1.943414 -0.838806
F -3.965838 0.179193 -1.604142
F -4.748463 0.184525 0.521403
O 2.950918 -2.585331 -1.031663
O 4.512274 2.793197 -0.122720
O 4.537253 -1.591160 0.345015
O 5.100755 0.918710 -1.371243
N 0.789568 1.011199 0.101569
N 1.880575 1.855555 -0.094849
C 1.137141 -0.348688 0.028755
C -0.495166 1.631317 0.286363
C 2.522834 -0.365325 -0.240858
C 0.197800 -1.444896 0.362269
C 2.929939 1.011629 -0.294548
C -1.670929 1.030372 -0.212038
C -0.545560 2.885655 0.940337
C -2.906559 1.683027 -0.013464
C -0.002649 -2.517882 -0.545437
C -0.505877 -1.429936 1.597499
C -1.787470 3.529325 1.113173
C -2.977807 2.930120 0.648677
C 3.443494 -1.525393 -0.255344
C -4.169596 1.016237 -0.482699
C -0.906542 -3.542484 -0.206241
C -1.405002 -2.468571 1.912922
C 4.272304 1.527276 -0.658061
C -1.618500 -3.537030 1.010423
H -1.633067 0.086707 -0.760587
H 0.385524 3.343115 1.284057
H 0.547601 -2.542581 -1.487891
H -0.338915 -0.616492 2.311205
H -1.827105 4.501132 1.614194
H -3.942904 3.427281 0.782341
H -1.945276 -2.454032 2.864660
H -2.319509 -4.340827 1.251680
H 3.595698 -3.343497 -0.986610
H 5.407622 3.103696 -0.429368


