%chk=000004705.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004705

0 1
 Br   5.464800     -0.7739000      -2.276000    
 O   -3.324800       2.334500     -5.4200001E-02
 O   -4.962300      0.1410000     -0.5319000    
 N    1.295800      0.3891000      0.7488000    
 N   -1.251000      -2.791500      2.2800000E-02
 N   0.9415000      -1.925900      0.5232000    
 C  -0.9324000     -0.4247000      0.2444000    
 C   -1.748600      -1.542400      5.2000000E-03
 C   0.4107000     -0.6889000      0.4981000    
 C   -1.463700      0.8766000      0.2235000    
 C   -2.816500       1.071800     -3.6899999E-02
 C   -3.098800      -1.317900     -0.2526000    
 C   -3.634800     -2.6799999E-02 -0.2751000    
 C    2.667600      0.5640000      0.5072000    
 C   6.6799998E-02  -2.915400      0.2804000    
 C    3.280100     -7.8000002E-02 -0.5735000    
 C    3.430900       1.382200       1.345400    
 C    4.642900      9.6699998E-02 -0.8135000    
 C    4.793800       1.556900       1.105300    
 C    5.399800      0.9140000      2.5900001E-02
 C   -3.317300       3.020200      -1.305300    
 C   -5.844300      0.1381000      0.5888000    
 H  -0.8441000       1.752100      0.3997000    
 H   -3.754700      -2.166300     -0.4423000    
 H   0.9128000       1.071200       1.397700    
 H   0.4616000      -3.924000      0.2928000    
 H    2.695200     -0.7060000      -1.241700    
 H    2.972500       1.889200       2.191000    
 H    5.383200       2.193200       1.759100    
 H    6.462800       1.060700     -0.1471000    
 H   -2.292000       3.145400      -1.667500    
 H   -3.759100       4.009200      -1.156400    
 H   -3.914200       2.477900      -2.045300    
 H   -5.797900     -0.8228000       1.111000    
 H   -6.863700      0.2883000      0.2229000    
 H   -5.596100      0.9523000       1.276900    


%chk=000004705-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000004705

0 1
Br 6.247064 -2.025716 -0.107163
O -3.406945 2.349242 0.262709
O -5.096364 0.043163 -0.333816
N 1.439785 0.431342 0.248859
N -1.157384 -2.733328 -0.763365
N 1.080082 -1.834072 -0.369164
C -0.855303 -0.339800 -0.150470
C -1.689011 -1.470107 -0.491309
C 0.580214 -0.603334 -0.094359
C -1.471825 0.925122 0.081053
C -2.860109 1.074634 0.008373
C -3.104926 -1.307264 -0.534887
C -3.693522 -0.070548 -0.267602
C 2.854482 0.470845 0.361010
C 0.179727 -2.828683 -0.689784
C 3.696917 -0.646325 0.107068
C 3.430347 1.714112 0.748542
C 5.085743 -0.478108 0.248074
C 4.825531 1.840486 0.879407
C 5.680895 0.741010 0.629647
C -4.161540 2.947844 -0.868167
C -5.755958 0.414235 0.943419
H -0.903807 1.836962 0.299591
H -3.728415 -2.174663 -0.765967
H 0.985187 1.318534 0.468506
H 0.622577 -3.806444 -0.904033
H 3.244016 -1.594389 -0.184666
H 2.784672 2.579392 0.946841
H 5.258133 2.801004 1.177985
H 6.765139 0.834689 0.729685
H -3.477114 3.139628 -1.715601
H -4.557155 3.898458 -0.480858
H -4.983155 2.284718 -1.190812
H -5.606003 -0.388612 1.688917
H -6.824933 0.506430 0.700836
H -5.360545 1.369642 1.332299


