%chk=000005016.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005016

0 1
 Br  -2.306600       3.097400       1.947600    
 O    1.119200       3.727400      -1.913400    
 O  -0.7056000       4.619500     -8.0399998E-02
 N   -1.777200      -1.731000     -0.2627000    
 C   0.5612000     -0.9313000     -0.5530000    
 C  -0.3701000      -2.046500     -9.2000002E-03
 C   0.1639000      0.5326000     -0.3519000    
 C   -2.390700     -0.9768000      0.8413000    
 C   -1.486500      4.9600001E-02   1.536100    
 C  -0.7809000      0.9846000      0.5906000    
 C    1.994500      -1.207600     -0.1069000    
 C   -2.559700      -2.932100     -0.5498000    
 C   0.7876000       1.486900      -1.185600    
 C   -1.068200       2.359900      0.6771000    
 C   0.4911000       2.845700      -1.088600    
 C    2.451200     -0.6862000       1.097400    
 C    2.827100      -1.977900     -0.9095000    
 C  -0.4384000       3.282700     -0.1557000    
 C   -3.964400      -2.594100     -0.9446000    
 C    3.761000     -0.9388000       1.505300    
 C    4.136800      -2.230600     -0.5014000    
 C    4.603600      -1.711000      0.7060000    
 C   -5.049200      -3.022300     -0.2888000    
 H   0.5319000      -1.057800      -1.648200    
 H  -8.6900003E-02  -2.970900     -0.5343000    
 H  -0.1881000      -2.272300       1.049800    
 H   -2.747600      -1.660400       1.624100    
 H   -3.265800     -0.4376000      0.4569000    
 H  -0.7172000     -0.4593000       2.131600    
 H   -2.092900      0.5433000       2.296700    
 H   -2.541700      -3.625500      0.3015000    
 H   -2.114600      -3.464900      -1.400000    
 H    1.516900       1.161500      -1.926100    
 H    1.812700     -9.4800003E-02   1.746300    
 H    2.474700      -2.389900      -1.850900    
 H   -4.103300      -1.971700      -1.825400    
 H    4.123600     -0.5373000       2.447100    
 H    4.793000      -2.832500      -1.123300    
 H    5.623100      -1.908500       1.024200    
 H   0.7949000       4.621900      -1.710000    
 H   -1.371000       4.760000      0.6147000    
 H   -6.041200      -2.746200     -0.6290000    
 H   -4.968700      -3.649000      0.5924000    


%chk=000005016-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005016

0 1
Br -2.263255 2.938819 2.190686
O 0.557561 3.693895 -2.241961
O -1.028776 4.554817 -0.219692
N -1.714001 -1.753100 -0.082956
C 0.647203 -0.955500 -0.597419
C -0.286710 -2.115430 -0.070331
C 0.135070 0.478620 -0.388043
C -2.171037 -1.143400 1.185251
C -1.138844 -0.133841 1.744416
C -0.690932 0.880075 0.707226
C 2.075127 -1.187090 -0.079898
C -2.645461 -2.777312 -0.606725
C 0.536964 1.429234 -1.358115
C -1.080985 2.241319 0.755774
C 0.146567 2.773374 -1.274138
C 2.592086 -0.499291 1.047630
C 2.889589 -2.167826 -0.704615
C -0.683299 3.192980 -0.203468
C -3.969131 -2.171462 -1.035318
C 3.884907 -0.787829 1.539830
C 4.182525 -2.458787 -0.216216
C 4.684776 -1.770650 0.912633
C -5.189406 -2.651982 -0.690752
H 0.677031 -1.088760 -1.697116
H -0.130681 -2.985922 -0.733929
H 0.057063 -2.440388 0.937990
H -2.350758 -1.923414 1.971252
H -3.136442 -0.636228 1.003006
H -0.257588 -0.682381 2.124678
H -1.591708 0.366099 2.616736
H -2.838509 -3.602388 0.126287
H -2.165079 -3.237139 -1.493976
H 1.170240 1.129523 -2.198798
H 1.991366 0.284642 1.522922
H 2.511242 -2.699918 -1.587460
H -3.880887 -1.287385 -1.684075
H 4.270863 -0.240541 2.407556
H 4.799023 -3.213884 -0.717346
H 5.689109 -1.990473 1.291726
H 0.179210 4.585357 -2.019898
H -1.620732 4.776695 0.545887
H -6.112899 -2.191784 -1.059337
H -5.298903 -3.523144 -0.031903


