%chk=000268923.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268923

0 1
Br 7.139891 -1.160944 -0.018674
Br -7.139794 -1.161151 -0.018156
S 0.000051 -0.557083 -0.008474
C 1.263464 0.652775 0.010341
C -1.263419 0.652724 0.010407
C 2.655781 0.225338 0.003513
C -2.655723 0.225241 0.003688
C 0.722526 1.903024 0.029963
C -0.722529 1.902994 0.029932
C 3.327745 -0.001700 1.216638
C -3.327573 0.036479 -1.216039
C 3.327731 0.037191 -1.216259
C -3.327768 -0.001234 1.216873
C 4.662571 -0.414545 1.212899
C -4.662386 -0.376322 -1.225411
C 4.662548 -0.375598 -1.225733
C -4.662572 -0.414143 1.213239
C 5.313193 -0.596398 -0.009640
C -5.313105 -0.596579 -0.009260
H 1.291560 2.823593 0.044370
H -1.291599 2.823546 0.044446
H 2.806017 0.144940 2.163058
H -2.805773 0.212852 -2.157337
H 2.805988 0.213990 -2.157501
H -2.806101 0.145865 2.163260
H 5.182619 -0.590743 2.155695
H -5.182344 -0.522787 -2.173329
H 5.182577 -0.521595 -2.173687
H -5.182676 -0.589930 2.156079


%chk=000268923-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000268923

0 1
Br 7.370056 -1.003648 -0.024738
Br -7.369955 -1.003908 -0.024107
S 0.000045 -0.707088 -0.005443
C 1.293889 0.569002 0.013942
C -1.293841 0.568959 0.014026
C 2.728502 0.184352 0.005328
C -2.728441 0.184260 0.005532
C 0.721741 1.832525 0.033359
C -0.721733 1.832501 0.033404
C 3.433055 -0.017223 1.221735
C -3.426292 0.017209 -1.219932
C 3.426585 0.018650 -1.220186
C -3.433216 -0.016017 1.222025
C 4.802154 -0.366268 1.221974
C -4.795262 -0.331637 -1.237744
C 4.795570 -0.330131 -1.238123
C -4.802306 -0.365093 1.222389
C 5.466379 -0.518373 -0.012363
C -5.466296 -0.518564 -0.011905
H 1.326869 2.742337 0.046808
H -1.326890 2.742293 0.046871
H 2.907220 0.103436 2.174665
H -2.895158 0.164759 -2.166112
H 2.895615 0.167195 -2.166303
H -2.907554 0.105673 2.174920
H 5.336865 -0.515751 2.164235
H -5.324680 -0.454313 -2.186829
H 5.325167 -0.451763 -2.187242
H -5.337188 -0.513572 2.164713


