%chk=000063686.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063686

0 1
 Br   6.310100      0.1632000      -2.979400    
 S   -3.932400      -2.731500     -0.8943000    
 S  -0.9317000      -2.229500     -0.7880000    
 O   -6.338900      0.5218000     -0.7377000    
 O    1.190800      -1.063100      -1.673000    
 N   -3.571300      0.9287000     -0.1106000    
 N    1.012300      -1.150800      0.6751000    
 N    2.914000     -0.6872000       2.010100    
 N   -1.306100      -1.070100       1.466100    
 N   -2.558500      -1.482500       1.045600    
 C   -5.337400     -0.3694000      -1.226500    
 C   -4.034200      0.4199000      -1.381900    
 C   -5.188200      -1.572100     -0.2905000    
 C    3.117100     -0.6404000     -0.4303000    
 C   -2.425000       1.691000      3.9400000E-02
 C    3.663500     -0.4814000      0.8451000    
 C    1.664300      -1.020400       1.899500    
 C    1.684800     -0.9903000     -0.5507000    
 C  -0.3760000      -1.398200      0.6018000    
 C    3.901500     -0.4485000      -1.573800    
 C   -1.625500       2.021100      -1.071400    
 C   -2.027700       2.157400       1.307100    
 C    5.012500     -0.1272000      0.9633000    
 C   -2.504300      -2.100000     -0.1152000    
 C  -9.4899997E-02   3.241200      0.3444000    
 C   0.9419000      -1.325800       3.195700    
 C  -0.4710000       2.789000     -0.9203000    
 C  -0.8732000       2.925600       1.458100    
 C    5.244000     -9.6900001E-02  -1.440500    
 C    5.799300      6.4800002E-02 -0.1732000    
 C    1.140000       4.061600      0.5062000    
 H   -5.672600     -0.7122000      -2.213300    
 H   -3.266800     -0.1702000      -1.890400    
 H   -4.246000       1.277900      -2.034100    
 H   -5.025300      -1.273400      0.7501000    
 H   -6.144500      -2.109100     -0.2744000    
 H   -4.139800      0.7769000      0.7150000    
 H    3.471200     -0.5699000      -2.564800    
 H   -1.879500       1.690800      -2.075000    
 H   -2.622300       1.919100       2.186300    
 H    5.460800     -1.8000000E-03   1.946100    
 H   -6.435400       1.241500      -1.384300    
 H   0.2644000     -0.5021000       3.438000    
 H    1.660200      -1.428700       4.015100    
 H   0.3778000      -2.258600       3.115400    
 H   0.1276000       3.029000      -1.795100    
 H  -0.5910000       3.272300       2.448600    
 H    6.844100      0.3388000     -5.1500000E-02
 H   0.9088000       5.121600      0.3625000    
 H    1.575900       3.929800       1.502300    
 H    1.905900       3.766100     -0.2192000    


%chk=000063686-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063686

0 1
Br 6.290158 1.251002 -2.813360
S -4.154846 -2.639999 -0.903293
S -1.041384 -2.168063 -1.114163
O -6.603728 0.618513 -0.314546
O 1.321777 -1.096035 -1.794720
N -3.834897 1.306744 -0.217821
N 1.083530 -1.207311 0.554886
N 2.962904 -0.736785 2.000047
N -1.181630 -1.245140 1.399389
N -2.491866 -1.617433 1.075157
C -5.605373 -0.186650 -1.062885
C -4.373318 0.676483 -1.411874
C -5.327984 -1.365692 -0.115572
C 3.173076 -0.354134 -0.430250
C -2.522413 1.772629 -0.082864
C 3.684907 -0.260187 0.897364
C 1.734040 -1.194196 1.845162
C 1.829636 -0.899284 -0.653761
C -0.302671 -1.476068 0.422474
C 3.943408 0.081827 -1.540132
C -1.561514 1.669479 -1.128547
C -2.107371 2.362321 1.149231
C 4.978029 0.292833 1.103554
C -2.599639 -2.116652 -0.157049
C 0.185621 2.694452 0.293018
C 1.030545 -1.762476 3.049373
C -0.236464 2.118483 -0.929160
C -0.786664 2.809408 1.324652
C 5.210564 0.627765 -1.302634
C 5.738760 0.741349 0.012202
C 1.611499 3.178832 0.500068
H -6.048351 -0.562979 -2.009213
H -3.611313 0.026032 -1.881990
H -4.675037 1.420698 -2.188409
H -4.857118 -1.041013 0.824645
H -6.260318 -1.909371 0.099532
H -4.515639 1.535764 0.508384
H 3.525631 -0.014562 -2.546102
H -1.835556 1.245471 -2.099658
H -2.826165 2.445183 1.974420
H 5.361059 0.354492 2.125936
H -6.989539 1.302141 -0.919934
H 0.218518 -1.101781 3.392186
H 1.785735 -1.871924 3.841034
H 0.565011 -2.739268 2.830941
H 0.480070 2.022524 -1.755051
H -0.499869 3.252432 2.287200
H 6.732723 1.170088 0.168320
H 1.645548 4.261554 0.727862
H 2.103203 2.656606 1.344152
H 2.228017 3.009697 -0.400702


