%chk=000117707.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117707

0 1
 Br   2.992200      -2.640300      -1.959300    
 O   -2.703800      -2.785300      0.1331000    
 O   -5.344000      0.1338000      -2.936800    
 O   -2.515500       3.549000      -1.350100    
 O    3.570800       1.810100       2.678300    
 O    1.710000      0.8811000       1.975900    
 O    7.794000      0.6075000      0.7641000    
 O    7.897300     -0.8865000     -0.8410000    
 N   -4.443600     -0.6267000     -0.3457000    
 N  -0.5980000       2.206400      -1.073500    
 N    1.117800      6.0000001E-03 -0.5892000    
 N    1.663700     -0.8033000      0.1958000    
 N   -6.782000      0.7648000       3.672000    
 N    2.955100       1.015700       1.929600    
 N    7.241600     -0.2046000     -1.6799999E-02
 C   -3.041400     -0.4718000     -0.4055000    
 C   -5.117100      -1.548400      -1.237500    
 C   -5.226000      0.1444000      0.5984000    
 C   -2.197000      -1.555800     -0.1659000    
 C   -2.502300      0.7787000     -0.7077000    
 C   -1.118900      0.9453000     -0.7704000    
 C   -4.838600      -1.170800      -2.682500    
 C   -5.357100     -0.5933000       1.926600    
 C  -0.2745000     -0.1389000     -0.5310000    
 C  -0.8135000      -1.389400     -0.2288000    
 C   -6.153700      0.1667000       2.901400    
 C   -1.299200       3.388700      -1.337100    
 C   -2.921300      -3.078000       1.511500    
 C    3.060400     -0.6577000      0.1369000    
 C    3.695500      0.2400000      0.9940000    
 C  -0.3658000       4.538600      -1.621400    
 C    3.808600      -1.405200     -0.7717000    
 C    5.081300      0.3906000      0.9427000    
 C    5.830600     -0.3568000      3.4200002E-02
 C    5.194400      -1.254700     -0.8229000    
 H   -6.200200      -1.512500      -1.066100    
 H   -4.814800      -2.583700      -1.054300    
 H   -6.224200      0.3443000      0.1866000    
 H   -4.786600       1.135700      0.7691000    
 H   -3.208200       1.573200     -0.9013000    
 H   -3.771800      -1.190600      -2.925900    
 H   -5.351900      -1.869200      -3.351400    
 H   -5.816800      -1.575600       1.767600    
 H   -4.364300     -0.7676000       2.354000    
 H  -0.1900000      -2.264200     -5.8499999E-02
 H   0.4184000       2.257300      -1.102600    
 H   -5.159800      0.3339000      -3.870400    
 H   -3.989900      -3.235800       1.676100    
 H   -2.555200      -2.287300       2.175100    
 H   -2.394500      -4.005900       1.752200    
 H   0.2676000       4.724700     -0.7495000    
 H  -0.9441000       5.440600      -1.839700    
 H   0.2617000       4.302000      -2.485400    
 H    5.581500       1.089400       1.609100    
 H    5.763500      -1.845600      -1.537300    


%chk=000117707-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000117707

0 1
Br 2.901802 1.469127 -2.342394
O -2.655654 -2.784618 0.189701
O -6.638639 -2.325591 -1.642552
O -2.700202 3.745778 -0.867861
O 4.252599 -2.406204 2.816331
O 2.394759 -1.082380 2.710789
O 8.267624 -0.698500 0.642386
O 8.061246 0.570098 -1.249959
N -4.512658 -0.644632 -0.309895
N -0.743595 2.489033 -0.566986
N 1.005507 0.547269 -0.036117
N 1.886746 -0.389288 0.243226
N -7.837782 2.967686 -0.746751
N 3.550285 -1.461683 2.276243
N 7.563440 -0.074056 -0.243746
C -3.141781 -0.423756 -0.235164
C -5.219885 -1.825320 0.250741
C -5.417378 0.392518 -0.865325
C -2.161339 -1.475900 0.039571
C -2.639105 0.894921 -0.463584
C -1.271148 1.197711 -0.386891
C -5.586014 -2.896953 -0.784485
C -5.891728 1.422258 0.213581
C -0.323486 0.151313 -0.098148
C -0.803536 -1.176282 0.100907
C -6.964147 2.284170 -0.307423
C -1.435502 3.682900 -0.784783
C -1.676112 -3.852075 0.438395
C 3.247286 -0.129561 0.148032
C 4.122335 -0.777609 1.096185
C -0.554172 4.919294 -0.901603
C 3.911049 0.559389 -0.930273
C 5.518589 -0.787257 0.978846
C 6.096522 -0.098705 -0.101283
C 5.303320 0.577603 -1.058842
H -6.160252 -1.463751 0.709682
H -4.608533 -2.285800 1.036979
H -6.288380 -0.139663 -1.280068
H -4.924464 0.920655 -1.697829
H -3.309472 1.725030 -0.676267
H -4.688658 -3.177120 -1.367770
H -5.964600 -3.790562 -0.243606
H -6.274824 0.881597 1.100107
H -5.053615 2.057389 0.552803
H -0.052267 -1.941893 0.308752
H 0.283247 2.508576 -0.487133
H -6.864070 -2.952468 -2.372968
H -1.126705 -3.675257 1.381652
H -0.961833 -3.935756 -0.402152
H -2.271850 -4.772911 0.518176
H -0.732829 5.574374 -0.030383
H -0.849502 5.486220 -1.800161
H 0.523224 4.689058 -0.956815
H 6.138088 -1.305577 1.714317
H 5.798447 1.100157 -1.881080


