%chk=000182961.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182961

0 1
Br -4.774932 1.432527 -1.751931
S -1.461999 1.357307 -2.117892
O -5.480722 -0.164864 0.628080
O 2.863690 0.771991 -1.805187
O 3.741076 -0.148302 2.407626
O 5.764272 0.529361 1.721685
N 0.046678 -0.239821 0.027259
N 2.825900 -0.673282 -0.033135
C 0.118828 0.511125 -2.353285
C -2.203612 0.464008 -0.804377
C -1.370437 -0.240332 0.097882
C 0.692701 0.108809 -1.035153
C -3.583769 0.492174 -0.613849
C -1.933112 -0.938541 1.185637
C 2.216664 0.136996 -0.988672
C -4.124334 -0.215615 0.484194
C -3.310247 -0.935172 1.376844
C 4.285745 -0.617270 0.135065
C 4.716848 -0.000220 1.450507
H 0.793196 1.218618 -2.899731
H 0.003939 -0.370680 -3.019744
H -1.277824 -1.477428 1.875465
H -3.750436 -1.475501 2.211049
H 2.293689 -1.056163 0.755498
H 4.754245 -0.033212 -0.709215
H 4.708144 -1.652563 0.070808
H -5.792926 -0.681155 1.418710
H 3.992634 0.261204 3.280562


%chk=000182961-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000182961

0 1
Br -4.745031 1.521794 -1.751894
S -1.480607 1.262711 -2.343236
O -5.476024 -0.044508 0.741020
O 2.895312 0.373997 -2.224345
O 3.642786 -0.537307 2.518733
O 5.902154 -0.268951 2.033524
N 0.104275 -0.260298 -0.055441
N 2.808270 -0.082748 0.064588
C 0.042305 0.153472 -2.522290
C -2.172261 0.414201 -0.882549
C -1.305774 -0.279368 0.034331
C 0.725682 0.004079 -1.183063
C -3.552121 0.502110 -0.597855
C -1.872322 -0.914335 1.169401
C 2.232883 0.116805 -1.164801
C -4.101535 -0.151758 0.534977
C -3.252174 -0.876055 1.411175
C 4.254163 -0.010953 0.231964
C 4.715095 -0.276760 1.653076
H 0.715188 0.631659 -3.248970
H -0.293493 -0.823834 -2.910549
H -1.192393 -1.427464 1.855190
H -3.675699 -1.381467 2.287287
H 2.197643 -0.280535 0.865120
H 4.641308 0.982855 -0.070074
H 4.767871 -0.732634 -0.434096
H -5.755644 -0.550005 1.544847
H 3.984040 -0.700707 3.438629


