%chk=000095583.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095583

0 1
 Br  -5.162200      -2.507900      1.3600000E-02
 O   -4.548000       1.080300      0.3524000    
 O   -4.076200      4.5600001E-02  -1.653500    
 C    2.647200     -0.8388000      0.1050000    
 C    1.238100     -0.3221000      0.4128000    
 C    3.782600      0.1711000      0.3027000    
 C   9.8700002E-02  -1.314800      0.1616000    
 C    5.159000     -0.3891000     -6.4000003E-02
 C   -1.288300     -0.7139000      0.4012000    
 C    6.287600      0.6399000      5.8800001E-02
 C   -2.427500      -1.711000      0.1528000    
 C    7.673400      0.1598000     -0.3767000    
 C   -3.816900      -1.151900      0.4404000    
 C    8.767600       1.197900     -0.1843000    
 C   -4.157600      3.3300001E-02 -0.4316000    
 C   -4.884400       2.282400     -0.3475000    
 C   -5.293200       3.339200      0.6563000    
 H    2.667800      -1.189500     -0.9347000    
 H    2.842500      -1.718300      0.7313000    
 H    1.060400      0.5755000     -0.1931000    
 H    1.202700      8.9999998E-04   1.460800    
 H    3.579100       1.057600     -0.3105000    
 H    3.792000      0.5039000       1.347600    
 H   0.2361000      -2.188500      0.8103000    
 H   0.1595000      -1.675000     -0.8726000    
 H    5.384600      -1.250100      0.5768000    
 H    5.131400     -0.7612000      -1.095500    
 H   -1.349300     -0.3511000       1.434600    
 H   -1.413500      0.1592000     -0.2500000    
 H    6.340700      0.9748000       1.102600    
 H    6.024600       1.524500     -0.5354000    
 H   -2.365400      -2.050600     -0.8900000    
 H   -2.261200      -2.601100      0.7736000    
 H    7.639200     -0.1307000      -1.433300    
 H    7.937200     -0.7403000      0.1912000    
 H   -3.942200     -0.9173000       1.501700    
 H    8.856100       1.481100      0.8693000    
 H    9.732500      0.7993000     -0.5127000    
 H    8.555300       2.100600     -0.7659000    
 H   -4.014500       2.629100     -0.9165000    
 H   -5.714000       2.084500      -1.035300    
 H   -6.151000       2.999400       1.245900    
 H   -4.479700       3.534900       1.362600    
 H   -5.557600       4.274100      0.1542000    


%chk=000095583-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000095583

0 1
Br -5.135659 -2.350894 0.480468
O -4.894410 1.125510 0.391253
O -3.795042 0.335566 -1.510023
C 2.768521 -0.771272 -0.048870
C 1.406143 -0.181180 0.379713
C 3.960939 0.169331 0.236110
C 0.220715 -1.135388 0.112638
C 5.319508 -0.411931 -0.216268
C -1.146525 -0.526729 0.500255
C 6.515507 0.521103 0.078758
C -2.310822 -1.520442 0.246537
C 7.872309 -0.057593 -0.383428
C -3.664773 -0.916977 0.620134
C 9.062629 0.878806 -0.082699
C -4.104088 0.216428 -0.302794
C -5.455804 2.259049 -0.413857
C -6.283459 3.110200 0.542003
H 2.739433 -1.007229 -1.133219
H 2.931642 -1.736909 0.474374
H 1.235988 0.774568 -0.158728
H 1.439071 0.071547 1.460315
H 3.790909 1.141167 -0.273237
H 4.000931 0.391679 1.323195
H 0.376852 -2.080162 0.674011
H 0.204051 -1.408624 -0.962397
H 5.485541 -1.388712 0.285094
H 5.281715 -0.625242 -1.305230
H -1.128845 -0.233348 1.570463
H -1.310408 0.398264 -0.087207
H 6.559467 0.728995 1.168620
H 6.348530 1.500553 -0.416990
H -2.328299 -1.809080 -0.820066
H -2.150279 -2.437255 0.842946
H 7.828068 -0.263463 -1.472578
H 8.037365 -1.037194 0.110518
H -3.731065 -0.600053 1.672245
H 9.144589 1.079073 1.002479
H 10.020025 0.439160 -0.418361
H 8.940241 1.852440 -0.594027
H -4.612104 2.814496 -0.861720
H -6.059172 1.826602 -1.232408
H -7.098458 2.517553 0.990761
H -5.657199 3.514783 1.355320
H -6.731080 3.958506 -0.007104


