%chk=000218794.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218794

0 1
Br -3.605166 -2.989384 0.130537
Br -7.471123 1.216113 -0.086268
S 9.540130 0.442948 -0.156367
O -1.768355 -0.581320 0.019212
N 5.550333 -0.360728 0.027603
N -3.326913 1.175488 -0.071129
C 1.807753 0.478676 0.039946
C 3.081066 -0.375112 0.069643
C 0.555676 -0.404462 0.010979
C 4.337158 0.510414 0.111400
C -0.705348 0.450005 -0.030184
C 6.814084 0.435086 0.137268
C 7.987611 -0.501043 -0.140154
C -3.050086 -0.162703 -0.005486
C -4.061627 -1.162462 0.040248
C -5.390579 -0.753184 0.016014
C -4.630121 1.554850 -0.093866
C -5.675909 0.619756 -0.051621
H 1.779508 1.147419 0.922857
H 1.822121 1.143530 -0.846918
H 3.123943 -1.031932 -0.824390
H 3.062007 -1.058182 0.940385
H 0.525142 -1.073775 0.895919
H 0.576630 -1.086623 -0.864256
H 4.348634 1.192153 -0.769064
H 4.323269 1.155934 1.015968
H -0.828195 1.109590 0.844525
H -0.826818 1.023821 -0.963593
H 5.522024 -1.067776 0.770374
H 6.928086 0.935771 1.123442
H 6.784645 1.245691 -0.628620
H 8.039621 -1.335013 0.581466
H 7.883034 -0.969759 -1.143508
H 9.668265 0.693277 1.162441
H -6.201415 -1.489400 0.049082
H -4.816186 2.637536 -0.147285


%chk=000218794-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218794

0 1
Br -3.928726 -3.062487 0.021580
Br -7.521560 1.530176 -0.164901
S 9.700238 0.525071 -0.280381
O -1.856141 -0.731899 0.031733
N 5.614555 -0.299663 0.125704
N -3.329563 1.117058 -0.041434
C 1.800795 0.366536 0.090074
C 3.127700 -0.424410 0.097374
C 0.560275 -0.557006 0.070142
C 4.365156 0.493492 0.130344
C -0.734811 0.253741 0.040677
C 6.863676 0.489934 0.116150
C 8.061186 -0.424836 -0.187316
C -3.133744 -0.225505 -0.011018
C -4.230250 -1.138528 -0.023252
C -5.539420 -0.631984 -0.068703
C -4.595384 1.618888 -0.085655
C -5.719499 0.772750 -0.100515
H 1.758869 1.025874 0.982051
H 1.780188 1.035569 -0.795232
H 3.191649 -1.071660 -0.798331
H 3.145197 -1.099637 0.979322
H 0.560482 -1.211301 0.962883
H 0.595577 -1.219473 -0.815606
H 4.369256 1.137201 -0.771938
H 4.289668 1.180617 1.012369
H -0.844915 0.904418 0.928181
H -0.813947 0.887186 -0.862212
H 5.613539 -1.004198 0.877293
H 7.047591 1.045437 1.071170
H 6.785927 1.252310 -0.681384
H 8.165907 -1.226191 0.564929
H 7.945142 -0.889679 -1.178991
H 9.700195 0.949889 1.039713
H -6.396095 -1.310238 -0.079315
H -4.695815 2.707748 -0.108905


