%chk=000133489.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133489

0 1
 Br   11.60120       1.744800     -1.1300000E-02
 O   -12.58250       1.012600     -3.0000000E-03
 O   -11.69830      -1.060700     -0.3146000    
 C   -1.435400     -0.6336000      1.8999999E-02
 C   -2.625400      0.3182000      0.1611000    
 C  -7.8400001E-02  7.0400000E-02  0.1133000    
 C   -3.953500     -0.4322000      3.6800001E-02
 C    1.111300     -0.8856000     -4.3000001E-03
 C   -5.144300      0.5240000      0.1400000    
 C    2.439000     -0.1321000      0.1090000    
 C   -6.471300     -0.2324000      4.8799999E-02
 C    3.667300      -1.044300      3.0500000E-02
 C   -7.700300      0.6790000      0.1240000    
 C    5.026500     -0.3381000      5.5599999E-02
 C   -9.025600     -7.2499998E-02 -4.2100001E-02
 C    6.212400      -1.295100     -8.6199999E-02
 C   -10.23640      0.8573000      5.1300000E-02
 C    7.526100     -0.5548000     -6.7900002E-02
 C    8.084000     -9.4700001E-02  -1.260700    
 C    8.182900     -0.3294000       1.141900    
 C   -11.55160      0.1370000     -0.1221000    
 C    9.298800      0.5906000      -1.243800    
 C    9.397700      0.3558000       1.158800    
 C    9.955600      0.8158000     -3.4100000E-02
 H   -1.494500      -1.403100      0.7988000    
 H   -1.500000      -1.154000     -0.9446000    
 H   -2.576300      0.8254000       1.132100    
 H   -2.566200       1.093200     -0.6127000    
 H  -1.3300000E-02  0.8290000     -0.6765000    
 H  -1.9700000E-02  0.6039000       1.070300    
 H   -4.020100      -1.191200      0.8258000    
 H   -3.990500     -0.9600000     -0.9240000    
 H    1.067200      -1.412700     -0.9647000    
 H    1.051800      -1.644400      0.7851000    
 H   -5.089800       1.268300     -0.6634000    
 H   -5.100300       1.069200       1.090500    
 H    2.468200      0.4191000       1.057000    
 H    2.498400      0.6144000     -0.6927000    
 H   -6.500700     -0.7918000     -0.8946000    
 H   -6.525100     -0.9725000      0.8567000    
 H    3.601500      -1.635700     -0.8919000    
 H    3.627000      -1.761600      0.8600000    
 H   -7.625500       1.447600     -0.6553000    
 H   -7.698600       1.203400       1.087500    
 H    5.115200      0.2264000      0.9928000    
 H    5.054600      0.4027000     -0.7540000    
 H   -9.102700     -0.8514000      0.7266000    
 H   -9.033800     -0.5885000      -1.010400    
 H    6.126100      -1.866400      -1.019200    
 H    6.196300      -2.036600      0.7225000    
 H   -10.24460       1.346500       1.032000    
 H   -10.16770       1.626000     -0.7267000    
 H    7.580600     -0.2626000      -2.209100    
 H    7.757000     -0.6814000       2.077700    
 H    9.719700      0.9430000      -2.182100    
 H    9.896400      0.5236000       2.109900    
 H   -13.45220      0.5688000     -9.8099999E-02


%chk=000133489-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000133489

0 1
Br 11.754390 1.855803 0.206479
O -12.741779 1.099672 0.125913
O -11.883495 -1.052120 -0.019468
C -1.423144 -0.663617 -0.020976
C -2.642510 0.284134 0.032644
C -0.067595 0.077542 0.016343
C -3.996890 -0.459528 0.002423
C 1.149978 -0.872183 -0.043614
C -5.217302 0.486997 0.053474
C 2.506706 -0.133859 0.007552
C -6.570335 -0.258884 0.025022
C 3.721692 -1.086187 -0.064553
C -7.790902 0.687286 0.074632
C 5.077087 -0.348951 0.002180
C -9.137955 -0.067531 0.044105
C 6.292433 -1.314636 -0.089542
C -10.342261 0.891463 0.094534
C 7.624698 -0.584986 -0.021637
C 8.199858 -0.011567 -1.185160
C 8.306938 -0.418018 1.210544
C -11.679579 0.178643 0.058917
C 9.414064 0.709355 -1.130460
C 9.522702 0.299419 1.290575
C 10.060631 0.856881 0.113513
H -1.474708 -1.374853 0.830035
H -1.478593 -1.279411 -0.943242
H -2.585148 0.903227 0.952572
H -2.594057 0.992188 -0.821175
H -0.017082 0.792238 -0.831751
H -0.010128 0.689217 0.941168
H -4.045477 -1.166182 0.857338
H -4.053223 -1.080298 -0.916371
H 1.096694 -1.477027 -0.973201
H 1.093656 -1.593009 0.798959
H -5.169291 1.192649 -0.802398
H -5.160314 1.108560 0.971785
H 2.563700 0.463654 0.941368
H 2.560603 0.593148 -0.829584
H -6.626441 -0.881163 -0.892472
H -6.618252 -0.963866 0.881045
H 3.669752 -1.675823 -1.004146
H 3.661791 -1.820761 0.765964
H -7.740635 1.392486 -0.781675
H -7.733565 1.308669 0.993208
H 5.143625 0.228375 0.946452
H 5.140306 0.392338 -0.820113
H -9.193316 -0.772776 0.895529
H -9.200695 -0.688403 -0.870142
H 6.217578 -1.883629 -1.037434
H 6.220602 -2.052710 0.733174
H -10.316693 1.517316 1.008412
H -10.318050 1.605358 -0.752610
H 7.697757 -0.131919 -2.152878
H 7.888524 -0.856473 2.124589
H 9.847363 1.141745 -2.037096
H 10.038740 0.416246 2.248033
H -13.604253 0.602361 0.098517


