%chk=000195966.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195966

0 1
Br 8.058911 -0.419845 -0.360525
S 2.132462 -0.210044 -1.126761
O -2.781753 -0.073941 -0.728996
O 2.057955 -1.228887 -2.151282
O 2.288691 1.179847 -1.522483
O -1.804183 0.776683 1.176566
O -4.643442 2.114459 -0.722913
O -3.848899 -2.159133 0.933837
O 5.268500 -0.059570 2.002820
N -4.013152 -0.057678 -0.097307
C 0.668366 -0.326894 -0.127843
C 3.438536 -0.632071 -0.013805
C -0.497691 0.309403 -0.868099
C 4.682717 0.193065 -0.313256
C -6.117570 0.670072 0.630148
C -5.854781 -0.742824 1.177821
C -1.692376 0.402301 0.044021
C -4.883281 1.087136 -0.155585
C -4.466084 -1.155708 0.713524
C 5.599484 0.272401 0.889604
C 6.977077 0.852916 0.630820
H 0.428450 -1.383611 0.121003
H 0.793049 0.167243 0.861687
H 3.165097 -0.503019 1.059213
H 3.688163 -1.715348 -0.075861
H -0.752863 -0.262938 -1.794677
H -0.244974 1.345368 -1.217261
H 5.225170 -0.223760 -1.192162
H 4.411072 1.237513 -0.619411
H -6.309955 1.400996 1.442066
H -7.012563 0.704293 -0.023230
H -6.607338 -1.474784 0.821546
H -5.905137 -0.774713 2.285443
H 7.496252 1.068032 1.588029
H 6.937192 1.796742 0.057309


%chk=000195966-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000195966

0 1
Br 7.415924 1.659843 0.317472
S 2.431741 -0.656886 -1.239798
O -2.574227 0.584013 -0.608285
O 1.859283 -1.653981 -2.405869
O 3.048176 0.818022 -1.646174
O -1.693823 -0.886029 1.022211
O -3.491050 2.267791 1.563521
O -4.554784 -1.480788 -1.090184
O 3.755985 0.638986 1.487010
N -3.818797 0.451892 0.071993
C 0.971846 -0.353747 0.000094
C 3.843387 -1.594126 -0.229703
C -0.271264 -0.032773 -0.830803
C 5.026359 -0.639753 -0.157061
C -5.592453 0.887500 1.548545
C -5.936488 -0.358342 0.685486
C -1.519830 -0.205131 0.006374
C -4.191326 1.337622 1.121953
C -4.737064 -0.590359 -0.239232
C 4.662600 0.638091 0.609433
C 5.404377 1.920543 0.278114
H 0.868697 -1.297043 0.559586
H 1.338254 0.457833 0.644934
H 3.394617 -1.806334 0.752568
H 4.014423 -2.503657 -0.824873
H -0.338450 -0.738401 -1.687858
H -0.239421 0.984623 -1.254071
H 5.854866 -1.141217 0.384712
H 5.411806 -0.382031 -1.157355
H -5.576780 0.670622 2.629736
H -6.294673 1.724356 1.393222
H -6.839936 -0.219453 0.067927
H -6.090374 -1.267934 1.290238
H 5.177465 2.706793 1.010643
H 5.162037 2.233156 -0.750507


