%chk=000293160.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000293160

0 1
Br 5.073822 -0.967180 -0.771084
Cl -4.119409 -1.396322 -2.262730
S -0.899751 0.950317 0.581039
O -1.243741 0.537468 1.927639
O -1.055402 2.323227 0.153203
N -1.857130 -0.005847 -0.482765
C 0.714437 0.434189 0.219091
C -2.941873 -0.825328 0.114188
C 1.471754 1.134192 -0.724914
C 1.255387 -0.672584 0.879727
C -3.258666 -1.999575 -0.808736
C 2.774185 0.721505 -1.024999
C 2.556702 -1.095914 0.589344
C 3.297293 -0.392463 -0.363829
H -2.152690 0.417004 -1.375496
H -2.613352 -1.212113 1.112811
H -3.863192 -0.223860 0.304210
H 1.053782 2.016151 -1.226286
H 0.668817 -1.207203 1.635796
H -3.916181 -2.739647 -0.316142
H -2.340805 -2.512416 -1.157909
H 3.365972 1.267415 -1.761980
H 2.980343 -1.959416 1.104923


%chk=000293160-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000293160

0 1
Br 5.380255 -0.687867 -0.740867
Cl -4.092165 -1.489396 -2.476198
S -0.907522 0.823542 0.572945
O -1.243499 0.357333 2.097060
O -1.139303 2.356118 0.067088
N -1.831598 -0.398231 -0.501810
C 0.877593 0.368597 0.179909
C -3.137890 -0.807029 0.083736
C 1.584236 1.198874 -0.703361
C 1.438226 -0.749871 0.816452
C -3.660161 -2.006035 -0.700411
C 2.933711 0.880172 -0.979287
C 2.787407 -1.063819 0.539745
C 3.512142 -0.248335 -0.358688
H -1.941649 0.048895 -1.433074
H -2.951805 -1.115931 1.129913
H -3.895259 0.002625 0.095461
H 1.104842 2.079728 -1.142486
H 0.851670 -1.347723 1.520437
H -4.597732 -2.392510 -0.274714
H -2.902488 -2.795231 -0.802571
H 3.519081 1.503086 -1.660648
H 3.262209 -1.925391 1.016468


