%chk=000047611.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047611

0 1
 Br   2.652100      -4.119400      -3.025200    
 O   0.4004000       1.528800     -8.5500002E-02
 O    2.119600       3.063500     -0.1434000    
 O   -3.986400     -0.6585000      0.6619000    
 N  -0.6242000       4.580200       1.007700    
 C    3.921100       1.233100       1.035000    
 C    4.139200       1.985800       2.299800    
 C    4.599200      0.5627000       2.177200    
 C    2.514800      0.8083000      0.6866000    
 C    2.548400     -0.4048000     -0.2257000    
 C    1.689600       1.943600      0.1014000    
 C    2.452600     -0.2179000      -1.591200    
 C    2.673900      -1.661800      0.3333000    
 C    2.483500      -1.331700      -2.430400    
 C    2.704800      -2.775600     -0.5062000    
 C  -0.4943000       2.513000     -0.6134000    
 C    2.609600      -2.610500      -1.887900    
 C   -1.849700       1.883800     -0.8369000    
 C  -0.5685000       3.667500      0.2931000    
 C   -2.289200      0.8952000      2.8000001E-02
 C   -2.625900       2.307900      -1.902800    
 C   -3.540300      0.3144000     -0.1787000    
 C   -3.877000       1.727100      -2.109500    
 C   -4.334300      0.7303000      -1.247500    
 C   -3.099600      -1.662900       1.012200    
 C   -2.322400      -2.248600      2.9400000E-02
 C   -3.014900      -2.055000       2.335900    
 C   -1.429900      -3.261000      0.3822000    
 C   -2.122400      -3.067200       2.688700    
 C   -1.330000      -3.670200       1.711800    
 H    4.519200       1.511000      0.1753000    
 H    4.895800       2.761000       2.303000    
 H    3.292800       2.187800       2.944700    
 H    4.067500     -0.1797000       2.758900    
 H    5.664400      0.3828000       2.096800    
 H    1.985900      0.5304000       1.611300    
 H    2.375200      0.7649000      -2.045100    
 H    2.741300      -1.803200       1.407400    
 H    2.412700      -1.185700      -3.505200    
 H    2.801000      -3.765300     -6.7100003E-02
 H  -9.4499998E-02   2.825000      -1.587700    
 H   -1.682300      0.6011000      0.8801000    
 H   -2.280000       3.084300      -2.579100    
 H   -4.495500       2.050900      -2.941600    
 H   -5.309600      0.2813000      -1.413800    
 H   -2.397800      -1.964100      -1.016000    
 H   -3.630900      -1.586300       3.097300    
 H  -0.8155000      -3.733200     -0.3789000    
 H   -2.044200      -3.385800       3.724100    
 H  -0.6350000      -4.458400       1.986400    


%chk=000047611-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047611

0 1
Br 2.017071 -4.322708 -2.785822
O 0.531920 1.925409 1.036931
O 1.557732 2.809546 -0.867030
O -3.758289 -1.127758 -0.261192
N -1.800061 3.341642 3.059828
C 4.066870 1.701399 0.213406
C 4.712449 2.579127 1.293794
C 5.297329 1.192603 0.969872
C 2.703007 1.053639 0.471489
C 2.509481 -0.245253 -0.324914
C 1.582956 2.032175 0.111315
C 2.471832 -0.230784 -1.742289
C 2.388967 -1.484068 0.348944
C 2.324699 -1.428442 -2.475418
C 2.245163 -2.693496 -0.368904
C -0.702727 2.741387 0.706937
C 2.216199 -2.649330 -1.777331
C -1.626168 1.959524 -0.215739
C -1.300787 3.062829 2.014004
C -2.235455 0.766118 0.239142
C -1.850743 2.426807 -1.531959
C -3.062617 0.039670 -0.643827
C -2.705403 1.700424 -2.392246
C -3.312440 0.505420 -1.955772
C -3.200471 -2.031970 0.686321
C -1.832011 -2.388570 0.676361
C -4.112387 -2.643120 1.572382
C -1.378632 -3.369338 1.586162
C -3.643236 -3.624885 2.472944
C -2.276240 -3.989107 2.486860
H 4.217155 2.015928 -0.824611
H 5.265494 3.466784 0.975383
H 4.183495 2.697709 2.245387
H 5.155268 0.394626 1.706072
H 6.248144 1.139079 0.432787
H 2.603221 0.820746 1.546869
H 2.542469 0.720742 -2.281599
H 2.407065 -1.513121 1.444613
H 2.293032 -1.409735 -3.568490
H 2.165283 -3.648155 0.159202
H -0.365611 3.669271 0.206705
H -2.067371 0.412440 1.261634
H -1.356780 3.339379 -1.881346
H -2.890769 2.060415 -3.409368
H -3.972182 -0.076175 -2.606240
H -1.137426 -1.925976 -0.032397
H -5.164834 -2.346145 1.542080
H -0.320958 -3.655345 1.578498
H -4.346153 -4.102210 3.164266
H -1.916252 -4.750245 3.187002


