%chk=000104005.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104005

0 1
 Br  -3.519700      -3.281000     -0.5702000    
 O    2.524900      0.7914000       3.418800    
 O   -2.373200       2.492700      0.3973000    
 O   -2.616500       2.489400      -1.784500    
 O   -7.799400       1.460600     -9.6500002E-02
 O   -8.154800     -0.7054000     -5.4600000E-02
 N    4.150800      -1.602200     -0.3028000    
 N   0.5284000      0.2838000       2.273200    
 N   -1.324700     -0.6912000      0.3659000    
 N   -1.873600     -0.6269000     -0.7582000    
 N   -2.866800       2.016000     -0.6514000    
 N   -7.381000      0.2786000     -0.1425000    
 C    4.855200      -1.117600      -1.470000    
 C    2.780800      -1.369900     -0.1309000    
 C    4.906200      -2.334900      0.7126000    
 C    5.236100      0.3151000      -1.307200    
 C    2.327800     -0.6596000      0.9810000    
 C    1.868900      -1.850100      -1.070800    
 C   0.9626000     -0.4299000       1.153000    
 C    4.866300      -3.822700      0.4206000    
 C   5.0799999E-02 -0.9102000      0.2130000    
 C   0.5039000      -1.620300     -0.8988000    
 C    4.364000       1.320500      -1.725000    
 C    6.464200      0.6499000     -0.7367000    
 C    4.720100       2.660500      -1.572500    
 C    6.820200       1.990100     -0.5843000    
 C    5.947900       2.995300      -1.002100    
 C    1.304400      0.8306000       3.302000    
 C   -3.253100     -0.4075000     -0.6043000    
 C   -3.741800      0.8980000     -0.5521000    
 C   -4.132400      -1.485700     -0.5041000    
 C   0.4523000       1.528700       4.332100    
 C   -5.109600       1.125100     -0.3995000    
 C   -5.988700      4.7100000E-02 -0.2993000    
 C   -5.500200      -1.258400     -0.3514000    
 H    5.757000      -1.717700      -1.652100    
 H    4.258400      -1.245700      -2.382400    
 H    5.950100      -2.001500      0.7262000    
 H    4.516300      -2.149800       1.719900    
 H    3.084500     -0.2985000       1.662300    
 H    2.203500      -2.418700      -1.934700    
 H    5.448800      -4.372200       1.166600    
 H    5.283000      -4.045000     -0.5674000    
 H    3.840000      -4.204000      0.4440000    
 H  -0.1700000      -2.035800      -1.643900    
 H    3.404500       1.074500      -2.172200    
 H    7.155300     -0.1218000     -0.4089000    
 H  -0.4791000      0.4154000       2.336600    
 H    4.041100       3.443200      -1.898000    
 H    7.776600       2.251000     -0.1406000    
 H    6.225100       4.038600     -0.8834000    
 H    1.087000       1.936400       5.123800    
 H  -9.9699996E-02   2.347600       3.862000    
 H  -0.2526000      0.8182000       4.773000    
 H   -5.469700       2.151300     -0.3608000    
 H   -6.171700      -2.110900     -0.2746000    


%chk=000104005-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104005

0 1
Br -3.729855 -1.730046 -3.258268
O 1.682228 -0.288634 4.124774
O -3.169952 0.770323 2.568768
O -2.431822 2.183704 0.929887
O -8.104982 0.974312 0.764913
O -8.467671 -0.135930 -1.201393
N 4.248315 -0.901517 0.084347
N 0.003210 -0.299819 2.483974
N -1.350941 -0.409137 0.172865
N -2.073140 -0.514563 -0.938991
N -3.113146 1.171121 1.336861
N -7.690118 0.341642 -0.284823
C 5.027003 -1.298532 -1.107628
C 2.868095 -0.790105 0.079561
C 5.050605 -0.693325 1.318222
C 5.709516 -0.138078 -1.838455
C 2.156748 -0.610311 1.308365
C 2.122436 -0.832630 -1.163556
C 0.758665 -0.482180 1.315191
C 5.209312 -1.974504 2.166486
C 0.016418 -0.539760 0.066362
C 0.741654 -0.710384 -1.157341
C 5.131705 1.154930 -1.877708
C 6.929916 -0.369093 -2.521444
C 5.760951 2.196623 -2.596401
C 7.557001 0.670149 -3.244099
C 6.972820 1.957424 -3.284246
C 0.458277 -0.196883 3.806845
C -3.431341 -0.243439 -0.750528
C -3.992038 0.490163 0.354507
C -4.373785 -0.723835 -1.719376
C -0.646965 0.007703 4.832529
C -5.366672 0.668024 0.536992
C -6.237203 0.151538 -0.444205
C -5.753731 -0.535296 -1.582273
H 5.798632 -2.021700 -0.779148
H 4.371842 -1.856316 -1.799593
H 6.041560 -0.324692 0.996655
H 4.592553 0.112022 1.917154
H 2.664642 -0.582008 2.271243
H 2.642847 -0.920173 -2.120495
H 5.845278 -1.764948 3.044975
H 5.687071 -2.783650 1.584709
H 4.234152 -2.338838 2.530725
H 0.167580 -0.729915 -2.088540
H 4.197734 1.352433 -1.340102
H 7.392620 -1.363944 -2.488708
H -1.009357 -0.210791 2.318328
H 5.305624 3.192834 -2.618614
H 8.500283 0.478913 -3.767516
H 7.459530 2.765840 -3.840602
H -0.252073 0.613504 5.662600
H -1.539722 0.494258 4.405720
H -0.949349 -0.971789 5.248214
H -5.769823 1.209240 1.396930
H -6.464436 -0.915441 -2.319449


