%chk=000290026.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290026

0 1
Br -4.097058 3.507068 0.979272
S -0.238057 1.098443 1.414114
O 0.592374 -1.476759 2.569524
C -1.546996 -0.780331 -0.010114
C -0.593235 -1.712781 0.504467
C 2.014802 0.398722 0.085103
C -1.505868 0.617014 0.292600
C 1.801217 -0.924847 0.580953
C -2.592218 -1.257847 -0.845775
C 1.111123 1.473639 0.342888
C 0.567116 -1.288818 1.376619
C -2.438195 1.501366 -0.197543
C 3.177801 0.674058 -0.684132
C -3.547562 -0.325616 -1.367516
C -0.709447 -3.055005 0.214115
C -3.474506 1.005676 -1.057720
C -2.678018 -2.652403 -1.142349
C 2.729990 -1.911624 0.338062
C 1.324821 2.739081 -0.133536
C 4.115942 -0.376153 -0.932911
C -1.760287 -3.529488 -0.618317
C 3.386446 1.999844 -1.184332
C 3.897750 -1.633781 -0.427824
C -2.418547 2.960390 0.111308
C 2.486541 3.001929 -0.918577
H -4.340782 -0.702693 -2.015056
H -0.000190 -3.777260 0.621688
H -4.211829 1.709813 -1.447355
H -3.485458 -3.004444 -1.783989
H 2.590872 -2.919937 0.730650
H 0.636006 3.557268 0.076210
H 5.004782 -0.156524 -1.523653
H -1.821597 -4.596884 -0.828159
H 4.279281 2.196408 -1.778712
H 4.611401 -2.438715 -0.602015
H -2.322949 3.569122 -0.808198
H -1.607815 3.260097 0.805812
H 2.644947 4.011671 -1.295400


%chk=000290026-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000290026

0 1
Br -3.965351 3.455792 1.382182
S -0.295648 1.249703 1.489229
O 0.783515 -1.966846 2.471828
C -1.565722 -0.778296 -0.032624
C -0.641812 -1.726176 0.536997
C 2.036584 0.426413 0.077765
C -1.537758 0.633094 0.255152
C 1.831049 -0.908374 0.572478
C -2.627836 -1.278836 -0.890401
C 1.161468 1.525905 0.377746
C 0.614971 -1.415083 1.344488
C -2.487346 1.518117 -0.292164
C 3.225684 0.710703 -0.710281
C -3.561419 -0.356704 -1.465709
C -0.842250 -3.101418 0.324024
C -3.489635 0.999868 -1.181663
C -2.757556 -2.684167 -1.125682
C 2.809008 -1.889122 0.335146
C 1.432441 2.820289 -0.069590
C 4.167754 -0.336278 -0.971082
C -1.891427 -3.585954 -0.508251
C 3.461535 2.042713 -1.184572
C 3.970654 -1.611793 -0.442946
C -2.500966 2.984911 0.005547
C 2.585278 3.081299 -0.872035
H -4.348644 -0.744801 -2.121972
H -0.160959 -3.810531 0.805277
H -4.221146 1.696799 -1.605570
H -3.562901 -3.038217 -1.779353
H 2.664671 -2.890438 0.753875
H 0.764849 3.642809 0.205918
H 5.055715 -0.111495 -1.573225
H -2.005005 -4.663871 -0.662356
H 4.360176 2.235653 -1.782025
H 4.701855 -2.406947 -0.621314
H -2.778230 3.596126 -0.865163
H -1.581967 3.344679 0.482898
H 2.778970 4.100171 -1.222371


