%chk=000233665.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233665

0 1
Br -1.029281 -2.206217 -1.210582
S 0.016029 1.602702 -0.885401
O 1.343476 -0.331940 -2.068592
O -5.422261 1.440260 0.710160
O -5.440711 -0.828823 1.410804
C 2.970334 -0.436344 0.701893
C 3.858048 0.061768 -0.436900
C 2.486489 0.721113 -0.215178
C 2.312196 -1.786761 0.558170
C 3.295954 -0.075029 2.130116
C 5.086826 0.847067 -0.190888
C 1.409219 0.473190 -1.182641
C 6.271155 0.298334 0.126258
C 7.491253 1.141430 0.335048
C 6.473430 -1.176349 0.280818
C -1.277236 0.915257 -1.970216
C -2.341449 0.368675 -1.083093
C -3.360368 1.272634 -0.657071
C -2.372179 -0.962835 -0.659692
C -4.335997 0.771265 0.167609
C -3.378813 -1.484177 0.190663
C -4.347224 -0.595025 0.588944
C -6.148896 0.450877 1.513999
H 3.946546 -0.588721 -1.325221
H 2.477399 1.727977 0.230812
H 2.947205 -2.584108 0.961314
H 1.353184 -1.822120 1.094346
H 2.094173 -2.043205 -0.490039
H 3.913831 -0.848720 2.603178
H 3.854365 0.867587 2.205931
H 2.381856 0.033712 2.728280
H 4.974943 1.924265 -0.309395
H 7.825238 1.098704 1.381017
H 8.326353 0.793341 -0.288572
H 7.326790 2.198809 0.091091
H 6.675015 -1.642109 -0.694915
H 7.316434 -1.419588 0.938428
H 5.583493 -1.671434 0.695140
H -0.833051 0.154699 -2.657798
H -1.646600 1.727514 -2.628429
H -3.352345 2.314975 -0.968390
H -3.384061 -2.526102 0.508513
H -6.109244 0.774952 2.562386
H -7.144418 0.322200 1.069094


%chk=000233665-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000233665

0 1
Br -1.612027 -2.446451 0.271262
S 0.173621 1.001664 -0.028341
O 1.552297 -1.097398 -1.168299
O -5.757702 1.975069 -0.643988
O -6.417425 0.021053 0.583856
C 3.404393 -1.148628 1.432137
C 4.140275 -0.430307 0.292267
C 2.682881 0.024276 0.681620
C 2.947708 -2.586204 1.193184
C 3.780800 -0.860060 2.885190
C 5.285515 0.491868 0.496916
C 1.585045 -0.211260 -0.278631
C 6.274241 0.778644 -0.403092
C 7.397849 1.734668 -0.037875
C 6.363033 0.203740 -1.805214
C -1.038386 0.334456 -1.350616
C -2.431559 0.172087 -0.800224
C -3.378112 1.222707 -1.023654
C -2.858329 -0.970689 -0.071581
C -4.664141 1.083091 -0.508673
C -4.171778 -1.119078 0.447312
C -5.054602 -0.064705 0.212421
C -6.824299 1.408431 0.223938
H 4.140307 -0.999953 -0.644545
H 2.601462 0.954028 1.255550
H 3.769820 -3.282805 1.444347
H 2.082337 -2.833877 1.837047
H 2.652504 -2.756938 0.144948
H 4.659760 -1.463857 3.180362
H 4.025190 0.201534 3.062906
H 2.942476 -1.127198 3.554633
H 5.337782 0.987125 1.477553
H 8.384875 1.235970 -0.114911
H 7.426629 2.597944 -0.732707
H 7.291542 2.125163 0.989161
H 6.373715 1.018837 -2.555874
H 7.309390 -0.357718 -1.937460
H 5.529771 -0.471007 -2.057196
H -0.574936 -0.612706 -1.680887
H -1.020077 1.059404 -2.178208
H -3.086604 2.114319 -1.585485
H -4.475796 -2.011617 0.997070
H -6.896236 2.011647 1.148341
H -7.766106 1.368433 -0.343560


