%chk=000030579.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030579

0 1
 Br -0.6517000      -4.350600      -2.398600    
 O   -1.092900      -1.375700     -0.9078000    
 C    3.504500      0.8938000      0.5101000    
 C    2.795100       2.125600     -7.9099998E-02
 C    4.496300      0.2931000     -0.5016000    
 C    3.799700       3.164900     -0.5740000    
 C    5.493800       1.340000     -0.9947000    
 C    4.787200       2.564000      -1.569900    
 C    2.514400     -0.1405000       1.013700    
 C   -3.050200      2.7899999E-02 -0.5987000    
 C    1.633700     -0.7548000      0.1234000    
 C   0.7249000      -1.706400      0.5862000    
 C   -4.299000      0.1958000      0.2926000    
 C    2.486300     -0.4779000       2.366900    
 C  -0.2293000      -2.372800     -0.3787000    
 C   -2.141600      -1.059600     -2.4000001E-03
 C   -2.289100       1.344000     -0.8748000    
 C   -5.344500       1.152100     -0.2904000    
 C   0.6969000      -2.043600       1.939400    
 C    1.577500      -1.429300       2.829800    
 C   -6.571300       1.324700      0.6093000    
 C   0.5213000      -3.065000      -1.510900    
 C   -1.760500       2.057500      0.3619000    
 C   -7.601600       2.292800      4.8400000E-02
 H    4.095000       1.244000       1.369200    
 H    2.146000       1.838500     -0.9160000    
 H    2.143900       2.581900      0.6769000    
 H    5.042800     -0.5403000     -4.2800002E-02
 H    3.965800     -0.1215000      -1.367900    
 H    3.265400       3.999000      -1.042700    
 H    4.348700       3.577800      0.2812000    
 H    6.140100       1.648200     -0.1636000    
 H    6.144400      0.8978000      -1.757500    
 H    5.529600       3.318600      -1.853400    
 H    4.254100       2.280100      -2.485600    
 H   -3.385700     -0.3376000      -1.579700    
 H    1.647100     -0.4893000     -0.9303000    
 H   -4.005000      0.5367000       1.292400    
 H   -4.772500     -0.7848000      0.4313000    
 H    3.165700     -8.7000001E-03   3.073300    
 H   -2.736700      -1.965500      0.1694000    
 H   -1.746200     -0.7312000      0.9642000    
 H  -0.8206000      -3.127800      0.1581000    
 H   -1.440600       1.134000      -1.538200    
 H   -2.930800       2.033500      -1.434600    
 H   -5.663200      0.7861000      -1.273900    
 H   -4.900900       2.141500     -0.4454000    
 H  -5.7999999E-03  -2.782300       2.315200    
 H    1.555400      -1.691700       3.883400    
 H   -7.048100      0.3494000      0.7636000    
 H   -6.251500       1.682100       1.595300    
 H    1.373400      -3.651600      -1.154600    
 H   0.8434000      -2.373800      -2.295200    
 H   -1.052300       1.435800      0.9167000    
 H   -2.570400       2.351400       1.035300    
 H   -1.232100       2.969600      6.4999998E-02
 H   -7.169800       3.290200     -8.1600003E-02
 H   -7.971200       1.949300     -0.9229000    
 H   -8.454900       2.376400      0.7284000    


%chk=000030579-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000030579

0 1
Br -1.043454 -4.580221 -2.186613
O -1.103390 -1.603833 -0.717066
C 3.447950 0.814800 0.604391
C 2.568038 2.094348 0.494277
C 4.160172 0.539360 -0.752899
C 3.395455 3.315601 0.028477
C 4.987323 1.760784 -1.219113
C 4.112485 3.033429 -1.313223
C 2.652678 -0.392909 1.094664
C -2.968842 -0.031419 -0.602077
C 1.575189 -0.919998 0.337416
C 0.841180 -2.043574 0.785813
C -4.105017 0.498294 0.315325
C 2.975899 -1.019483 2.326198
C -0.281174 -2.632631 -0.079858
C -2.048751 -0.958729 0.212048
C -2.174201 1.085475 -1.337324
C -5.184562 1.323817 -0.421280
C 1.177525 -2.650977 2.020411
C 2.244075 -2.136289 2.788854
C -6.372959 1.707398 0.490186
C 0.340282 -3.460663 -1.209595
C -1.505333 2.136668 -0.422266
C -7.451855 2.532064 -0.244945
H 4.241309 1.025254 1.353609
H 1.747911 1.911632 -0.229813
H 2.089684 2.301899 1.471297
H 4.808449 -0.353266 -0.657620
H 3.397629 0.299462 -1.522232
H 2.738068 4.201746 -0.065939
H 4.153184 3.560239 0.802006
H 5.812810 1.938663 -0.498506
H 5.458919 1.545136 -2.197573
H 4.731651 3.903070 -1.607328
H 3.352783 2.895762 -2.110646
H -3.434598 -0.665292 -1.386389
H 1.280048 -0.450220 -0.608765
H -3.677643 1.107292 1.138737
H -4.599616 -0.369638 0.801143
H 3.804733 -0.624180 2.926742
H -2.653291 -1.744944 0.716917
H -1.489500 -0.398944 0.992429
H -0.917942 -3.291095 0.551357
H -1.401026 0.592531 -1.956172
H -2.856392 1.600604 -2.041425
H -5.561664 0.742473 -1.288572
H -4.738261 2.249818 -0.836697
H 0.605792 -3.516175 2.379282
H 2.502767 -2.600769 3.747091
H -6.828790 0.783898 0.902339
H -5.994253 2.281787 1.360451
H 1.072548 -4.186212 -0.827012
H 0.787149 -2.812963 -1.979032
H -0.789014 1.672008 0.279981
H -2.249103 2.696477 0.174290
H -0.944191 2.873604 -1.026710
H -7.030247 3.476984 -0.637263
H -7.863185 1.968018 -1.103339
H -8.293030 2.789823 0.424659


