%chk=000130617.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130617

0 1
 Br  -9.506700      -3.248500     -5.1000002E-03
 Br   10.61670      -1.806900     -0.1140000    
 O   -4.328900      -2.468600     -0.1109000    
 O    5.381400      -1.780500      2.4499999E-02
 O   -5.593100     -0.5047000     -2.0199999E-02
 O    6.353600      0.3437000      9.8999999E-02
 C   0.1781000       2.012900      0.1198000    
 C   0.3285000      0.6446000      6.8700001E-02
 C    1.294200       3.041500      0.2262000    
 C  -0.9172000     -0.1874000      2.1000000E-02
 C    1.639900      1.5799999E-02  5.7000000E-02
 C   -1.177700       2.617600      0.1302000    
 C    1.803100       3.499900      -1.135200    
 C   -1.446400     -0.5005000      -1.207000    
 C    2.255100     -0.3359000       1.258500    
 C   -1.473300     -0.5998000       1.206800    
 C    2.282100     -0.2360000      -1.155300    
 C   -1.798700       2.843200       1.342000    
 C   -1.775800       2.936400      -1.072100    
 C   -2.605500      -1.275300      -1.251800    
 C    3.512600     -0.9394000       1.247600    
 C   -2.632400      -1.374700       1.161800    
 C    3.539500     -0.8397000      -1.166100    
 C   -3.198500      -1.712400     -6.7500003E-02
 C    4.154900      -1.191400      3.5399999E-02
 C   -3.072400       3.412000       1.351800    
 C   -3.049300       3.505200      -1.062200    
 C   -3.697600       3.742900      0.1498000    
 C   -5.523700      -1.724100     -9.3300000E-02
 C    6.458400     -0.8751000      7.3500000E-02
 C   -6.707400      -2.669000     -0.1452000    
 C    7.764400      -1.643500      5.6200001E-02
 C   -8.043900      -1.958900     -2.3399999E-02
 C    8.985900     -0.7435000     -3.9999999E-04
 H    2.134500       2.626500      0.7949000    
 H   0.9616000       3.914300      0.8022000    
 H    1.018500       4.009900      -1.703000    
 H    2.630900       4.204800      -1.006100    
 H    2.168100       2.662200      -1.736200    
 H  -0.9914000     -0.1664000      -2.134700    
 H    1.769200     -0.1454000       2.212500    
 H   -1.039600     -0.3435000       2.168800    
 H    1.816700      3.0900000E-02  -2.101100    
 H   -1.320200       2.591800       2.284400    
 H   -1.281500       2.755700      -2.022400    
 H   -3.040800      -1.535300      -2.212900    
 H    3.986300      -1.211100       2.187100    
 H   -3.088900      -1.712300       2.088400    
 H    4.034000      -1.033700      -2.114000    
 H   -3.577100       3.597100       2.295500    
 H   -3.536500       3.762400      -1.998200    
 H   -4.689500       4.185300      0.1574000    
 H   -6.594400      -3.387800      0.6752000    
 H   -6.658900      -3.217400      -1.092900    
 H    7.749900      -2.302700     -0.8199000    
 H    7.799600      -2.267600      0.9566000    
 H   -8.225800      -1.286500     -0.8668000    
 H   -8.119400      -1.388800      0.9071000    
 H    9.075400     -0.1220000      0.8952000    
 H    8.974500     -9.5600002E-02 -0.8818000    


%chk=000130617-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000130617

0 1
Br -8.228927 -5.625062 0.097500
Br 9.995077 -3.764157 -0.303868
O -3.990413 -2.478246 -0.294621
O 5.494356 -0.984747 -0.463440
O -5.468057 -1.885848 1.446681
O 5.485042 -2.731622 1.122284
C 0.074882 2.772447 0.098147
C 0.263228 1.406693 -0.036823
C 1.215335 3.742171 0.404747
C -0.876677 0.429693 -0.076942
C 1.627245 0.784671 -0.105629
C -1.271264 3.415721 -0.060703
C 1.473232 4.788081 -0.711185
C -0.875159 -0.644261 -1.011361
C 1.958090 -0.327067 0.715209
C -1.958362 0.506655 0.840590
C 2.612278 1.243368 -1.024949
C -1.754591 4.369607 0.877359
C -2.073367 3.136983 -1.203126
C -1.927430 -1.576933 -1.049781
C 3.221251 -0.954345 0.659749
C -3.020330 -0.422137 0.828763
C 3.875602 0.629161 -1.106295
C -2.994990 -1.458977 -0.132956
C 4.174884 -0.462332 -0.262304
C -3.005485 4.999620 0.696510
C -3.318004 3.772917 -1.391376
C -3.794265 4.705055 -0.439611
C -5.145013 -2.619158 0.487909
C 6.053432 -2.069830 0.228106
C -5.939274 -3.814123 -0.026573
C 7.465880 -2.304537 -0.293910
C -7.193781 -4.041150 0.821732
C 8.125242 -3.485893 0.423764
H 2.142984 3.187794 0.623536
H 0.957527 4.294360 1.332269
H 0.564652 5.380215 -0.918722
H 2.276737 5.484825 -0.410515
H 1.779389 4.301363 -1.655319
H -0.043715 -0.743162 -1.717270
H 1.212337 -0.708019 1.421299
H -1.969070 1.307811 1.586008
H 2.375291 2.074640 -1.696790
H -1.160357 4.606579 1.767734
H -1.708692 2.420423 -1.946852
H -1.936842 -2.396278 -1.774650
H 3.454637 -1.797994 1.309434
H -3.837768 -0.345050 1.545744
H 4.631545 0.973412 -1.818263
H -3.363782 5.719309 1.441342
H -3.915313 3.544335 -2.281264
H -4.762635 5.197147 -0.583103
H -5.286442 -4.705724 -0.020583
H -6.203067 -3.635108 -1.085097
H 8.053736 -1.378330 -0.158265
H 7.416976 -2.478697 -1.384281
H -7.889620 -3.191695 0.785695
H -6.960249 -4.293637 1.865313
H 7.597409 -4.434287 0.252981
H 8.249763 -3.311951 1.501422


