%chk=000057271.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057271

0 1
 Br -0.1071000       3.594000     -6.5499999E-02
 O   0.9541000      0.8311000      0.8994000    
 O  -0.4487000      -1.531600       1.114600    
 O   -5.016800      -1.613400     -5.3199999E-02
 N    4.290400      0.3630000     -0.5959000    
 N   -4.428600      0.6330000     -0.4607000    
 C    3.293800      0.6602000      0.4323000    
 C    5.589200      0.9241000     -0.2263000    
 C    4.397300      -1.081000     -0.8018000    
 C    1.887700      0.5517000     -0.1357000    
 C    6.110700      0.3019000       1.057800    
 C    5.384100      -1.405900      -1.910200    
 C  -0.3732000      0.7977000      0.5598000    
 C   -1.072800     -0.4037000      0.6732000    
 C   -1.025000       1.944100      0.1055000    
 C   -3.076100      0.6877000     -0.1220000    
 C   -2.424200     -0.4587000      0.3325000    
 C   -2.376600       1.889100     -0.2353000    
 C  -0.4230000      -2.647400      0.2267000    
 C   0.8367000      -3.448500      0.4779000    
 C   -5.288900     -0.4719000     -0.4107000    
 C   -6.683000     -0.1158000     -0.8623000    
 H    3.409100       1.687400      0.8050000    
 H    3.378600      9.8999999E-03   1.312800    
 H    5.488500       2.008200     -8.4399998E-02
 H    6.325200      0.8246000      -1.031000    
 H    3.432100      -1.469700      -1.144800    
 H    4.635500      -1.647300      0.1055000    
 H    1.685700     -0.4515000     -0.5224000    
 H    1.760300       1.262700     -0.9610000    
 H    7.044100      0.8078000       1.334000    
 H    6.365700     -0.7564000      0.9554000    
 H    5.438900      0.4268000       1.911300    
 H    5.273000      -2.456100      -2.203200    
 H    6.424800      -1.276500      -1.598300    
 H    5.203800     -0.7991000      -2.804300    
 H   -2.916000      -1.413500      0.4530000    
 H   -2.888600       2.781200     -0.5902000    
 H   -4.831500       1.510400     -0.7832000    
 H  -0.4374000      -2.318700     -0.8199000    
 H   -1.303800      -3.271300      0.4132000    
 H    1.727200      -2.831700      0.3212000    
 H   0.8711000      -3.795800       1.515900    
 H   0.8871000      -4.316300     -0.1856000    
 H   -7.319100      -1.004900     -0.8378000    
 H   -7.104700      0.6420000     -0.1960000    
 H   -6.654600      0.2712000      -1.884800    


%chk=000057271-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057271

0 1
Br -0.339852 3.747196 0.858924
O 1.021256 0.964903 0.780946
O -0.119368 -1.507087 0.162211
O -4.944211 -1.587630 -0.709335
N 4.474486 0.199463 -0.435505
N -4.541465 0.691862 -0.305235
C 3.400971 0.736613 0.435223
C 5.699686 1.035907 -0.480877
C 4.700572 -1.255044 -0.239172
C 2.032165 0.524662 -0.226574
C 6.548287 1.083813 0.819842
C 5.512738 -1.904498 -1.375092
C -0.325538 0.862954 0.433163
C -0.962460 -0.389452 0.147078
C -1.150473 2.010840 0.463992
C -3.135644 0.706030 -0.065523
C -2.347233 -0.470632 -0.110914
C -2.537254 1.955328 0.229327
C -0.734148 -2.839342 -0.046431
C 0.388873 -3.864726 0.075775
C -5.363837 -0.395245 -0.603853
C -6.837293 -0.044184 -0.799341
H 3.555754 1.819770 0.589001
H 3.382059 0.267013 1.445943
H 5.385748 2.062931 -0.747980
H 6.332075 0.681036 -1.315880
H 3.705564 -1.737760 -0.196652
H 5.191928 -1.474355 0.742722
H 1.859743 -0.534841 -0.480508
H 1.933930 1.147676 -1.135312
H 7.412394 1.761098 0.685533
H 6.941790 0.086191 1.087232
H 5.953826 1.457924 1.673614
H 5.551930 -3.000792 -1.236824
H 6.554427 -1.537154 -1.404060
H 5.043608 -1.688294 -2.351337
H -2.842524 -1.415960 -0.333248
H -3.134521 2.871880 0.269712
H -5.001006 1.602845 -0.247581
H -1.207543 -2.871950 -1.047923
H -1.517650 -3.000126 0.720458
H 1.162991 -3.695257 -0.692736
H 0.863618 -3.806971 1.070029
H -0.018039 -4.883187 -0.059702
H -7.149972 -0.360064 -1.809510
H -7.440930 -0.619502 -0.076422
H -7.064455 1.029218 -0.676697


