%chk=000218756.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218756

0 1
Br 10.815040 0.967154 0.701024
S -8.647089 0.414138 -1.100198
S -9.309304 0.116875 0.824160
O 5.130765 -0.773517 0.107831
O -8.197136 1.110874 1.595217
O -10.573242 0.747861 1.004451
O -9.018739 -1.213564 1.233448
N -4.700277 -0.448010 -0.627165
N 6.677726 0.975067 0.411998
C -0.972212 0.344586 -0.180800
C 0.282462 -0.539027 -0.197472
C -2.243460 -0.493120 -0.364637
C 1.556363 0.297207 -0.016643
C -3.497010 0.396485 -0.346631
C 2.806320 -0.589527 -0.033287
C 4.064953 0.250930 0.147235
C -5.969171 0.337351 -0.512507
C -7.079039 -0.512847 -1.127273
C 6.411564 -0.354900 0.244347
C 7.405195 -1.366412 0.200658
C 8.727231 -0.969375 0.337753
C 7.981962 1.337481 0.543948
C 9.019242 0.395259 0.511106
H -1.023596 0.907649 0.771333
H -0.904826 1.107676 -0.980946
H 0.333054 -1.102743 -1.149748
H 0.216296 -1.303592 0.601043
H -2.200098 -1.049956 -1.323456
H -2.307696 -1.264771 0.426335
H 1.504156 0.860838 0.935776
H 1.622089 1.059731 -0.817859
H -3.427409 1.164423 -1.149647
H -3.564770 0.945332 0.617566
H 2.869386 -1.159986 -0.982603
H 2.751845 -1.358836 0.764034
H 4.121103 0.766505 1.120179
H 4.245792 0.964964 -0.673168
H -4.728143 -1.239511 0.026871
H -5.855658 1.291216 -1.077455
H -6.216699 0.623522 0.537756
H -6.858404 -0.742622 -2.193691
H -7.189167 -1.494067 -0.619863
H 7.117329 -2.405526 0.063986
H 9.531616 -1.708899 0.311224
H 8.171718 2.411592 0.677504
H -8.539758 1.724891 2.266064


%chk=000218756-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218756

0 1
Br 11.007904 1.174152 0.613956
S -8.641308 0.587218 -1.396979
S -9.739853 -0.070463 0.731672
O 5.326101 -0.959069 0.053894
O -9.574343 1.573519 1.590893
O -11.318874 -0.414883 0.659759
O -8.744502 -1.123740 1.466852
N -4.704459 -0.195452 -0.420715
N 6.806557 0.862206 0.379364
C -0.884319 0.353727 -0.130733
C 0.345607 -0.581214 -0.157601
C -2.222554 -0.401467 -0.291316
C 1.680929 0.178658 0.006419
C -3.437786 0.546161 -0.283507
C 2.912915 -0.755246 -0.037104
C 4.213636 0.029139 0.135522
C -5.942063 0.582355 -0.550615
C -7.063678 -0.350108 -1.045239
C 6.613556 -0.467675 0.182284
C 7.676470 -1.408854 0.097642
C 8.992304 -0.932371 0.224717
C 8.086954 1.319362 0.502544
C 9.195223 0.454880 0.430457
H -0.891654 0.921728 0.822829
H -0.787339 1.106040 -0.941135
H 0.358448 -1.144501 -1.113466
H 0.251820 -1.337410 0.649211
H -2.224109 -0.976568 -1.237481
H -2.325560 -1.140821 0.531287
H 1.668830 0.734331 0.967196
H 1.766713 0.942487 -0.794363
H -3.364687 1.252957 -1.134116
H -3.416417 1.166898 0.646460
H 2.941180 -1.298521 -1.001264
H 2.838137 -1.518333 0.761413
H 4.266331 0.544600 1.112652
H 4.353614 0.787877 -0.657162
H -4.783960 -0.998841 0.215983
H -5.766987 1.385295 -1.292210
H -6.270500 1.078629 0.392246
H -6.779868 -0.880525 -1.973055
H -7.306225 -1.111189 -0.273452
H 7.458587 -2.467446 -0.062244
H 9.841038 -1.619530 0.165687
H 8.212722 2.394997 0.660826
H -10.284225 1.605811 2.299790


