%chk=000036467.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036467

0 1
 Br -0.9543000       2.710700      -1.046800    
 O  -0.6499000     -0.3230000     -0.4415000    
 O    2.577900     -0.7348000      -1.862600    
 O   -2.258200      -1.027100      -1.930500    
 N   2.6799999E-02  -3.900800      0.2686000    
 C    1.447400      -1.344300      0.1379000    
 C   7.9000004E-02  -1.547600     -0.5169000    
 C    2.172100      -2.679700      0.3007000    
 C  -0.7235000      -2.642100      0.1959000    
 C    1.289900      -3.716800      0.9951000    
 C    2.286400     -0.4329000     -0.7076000    
 C  -0.7809000      -4.942200      0.9033000    
 C    2.766900      0.8537000     -0.1292000    
 C   -1.893700     -0.3390000     -0.9897000    
 C    2.997600      0.9238000       1.226800    
 C    2.963300       1.925300     -0.9716000    
 C   -2.786700      0.6143000     -0.2839000    
 C    3.447700       2.127900       1.768400    
 C    3.413500       3.129400     -0.4300000    
 C    3.655700       3.230600      0.9401000    
 C   -2.496600       1.963500     -0.2323000    
 C   -3.915200      8.5699998E-02  0.3150000    
 C   -3.367500       2.818200      0.4438000    
 C   -4.785800      0.9406000      0.9912000    
 C   -4.511900       2.306600       1.055600    
 H    1.258900     -0.9134000       1.125400    
 H   0.2089000      -1.813200      -1.575400    
 H    3.092900      -2.536400      0.8797000    
 H    2.482800      -3.072300     -0.6770000    
 H   -1.014100      -2.296400       1.198300    
 H   -1.660700      -2.829400     -0.3397000    
 H    1.840700      -4.664700       1.029500    
 H    1.105300      -3.409800       2.033000    
 H   -1.054400      -4.684800       1.933000    
 H  -0.2383000      -5.893900      0.9183000    
 H   -1.701300      -5.116400      0.3350000    
 H    2.891000      7.8000002E-02   1.896800    
 H    2.773500       1.861500      -2.038600    
 H    3.646000       2.204500       2.833600    
 H    3.574300       3.988500      -1.074700    
 H    4.007900       4.167500       1.361400    
 H   -4.135500     -0.9772000      0.2725000    
 H   -3.171100       3.885600      0.5050000    
 H   -5.676500      0.5422000       1.468100    
 H   -5.189900       2.971900       1.582300    


%chk=000036467-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000036467

0 1
Br -0.990262 2.205946 1.310195
O -1.145854 -0.584613 0.214986
O 1.223392 0.012903 -1.874053
O -2.729034 -1.368528 -1.294999
N 0.356038 -4.041232 0.416106
C 1.180777 -1.219998 0.220094
C -0.223839 -1.706523 -0.162713
C 2.186816 -2.406088 0.083298
C -0.635485 -2.964565 0.624528
C 1.700784 -3.633917 0.876901
C 1.638463 -0.059961 -0.679752
C -0.086028 -5.330139 0.980781
C 2.628851 0.942630 -0.154959
C -2.352425 -0.508699 -0.457619
C 3.152692 0.900370 1.166043
C 3.061059 1.974199 -1.033741
C -3.193992 0.673039 -0.061235
C 4.086866 1.867347 1.595832
C 3.990555 2.940304 -0.604261
C 4.507659 2.889430 0.713487
C -2.809836 1.832077 0.670832
C -4.549676 0.591359 -0.498473
C -3.749436 2.849576 0.959510
C -5.488712 1.596475 -0.213409
C -5.086442 2.732370 0.525455
H 1.148574 -0.898196 1.278262
H -0.308359 -1.878339 -1.248919
H 3.186755 -2.095820 0.439617
H 2.275927 -2.682238 -0.983523
H -0.738204 -2.690276 1.707906
H -1.619913 -3.307516 0.262139
H 2.397381 -4.477615 0.716474
H 1.706584 -3.397572 1.975742
H -0.209596 -5.308316 2.093336
H 0.649787 -6.115834 0.732748
H -1.054699 -5.616476 0.534896
H 2.835729 0.120893 1.866580
H 2.646074 1.991317 -2.046981
H 4.484299 1.826987 2.615869
H 4.313082 3.732216 -1.288982
H 5.230950 3.640892 1.049606
H -4.826272 -0.296050 -1.076919
H -3.429117 3.733356 1.518647
H -6.521100 1.497638 -0.563215
H -5.800417 3.528985 0.760179


