%chk=000187996.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187996

0 1
Cl -5.616893 0.168130 0.017009
S 0.601868 -2.347880 -0.997202
O 0.655539 2.557665 0.172935
N 2.429300 -0.367160 -0.790022
N 0.306033 0.281508 -0.299962
C 2.560964 1.040758 -0.293680
C 3.352323 1.136536 1.018201
C 4.659741 0.340648 0.922828
C 3.633400 -1.231328 -0.780403
C 4.388729 -1.122740 0.552489
C 1.091346 1.472381 -0.092481
C 1.126511 -0.828277 -0.665061
C -1.138618 0.235322 -0.221822
C -1.767484 -0.796292 0.490497
C -1.878323 1.254617 -0.845847
C -3.166943 -0.831890 0.565379
C -3.270985 1.227887 -0.762979
C -3.895345 0.190931 -0.068173
C -3.875591 -1.917941 1.297042
H 3.038128 1.660465 -1.096094
H 2.745291 0.757085 1.866165
H 3.557676 2.201627 1.248030
H 5.196454 0.391555 1.890721
H 5.335840 0.803629 0.177420
H 4.277954 -0.903736 -1.629008
H 3.338408 -2.289247 -0.985207
H 5.340699 -1.683938 0.482205
H 3.807724 -1.617262 1.357327
H -1.180484 -1.578253 0.976536
H -1.376201 2.063857 -1.376009
H -3.864977 2.009746 -1.238844
H -4.554164 -2.469938 0.625976
H -3.191188 -2.653596 1.739580
H -4.497433 -1.512971 2.111054


%chk=000187996-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187996

0 1
Cl -5.763774 0.257096 -0.054016
S 0.598364 -2.448000 -1.076969
O 0.642288 2.521892 0.322746
N 2.417141 -0.438041 -0.582894
N 0.288646 0.238119 -0.298978
C 2.529776 0.976939 -0.188323
C 3.403473 1.134495 1.082176
C 4.753676 0.406849 0.868443
C 3.633562 -1.244513 -0.740243
C 4.533987 -1.084835 0.509817
C 1.066546 1.392396 -0.013415
C 1.118337 -0.886815 -0.648572
C -1.151308 0.223871 -0.243157
C -1.827693 -0.789669 0.472167
C -1.874464 1.253415 -0.886103
C -3.242070 -0.817983 0.547556
C -3.282185 1.255597 -0.814110
C -3.935108 0.226653 -0.111311
C -3.959011 -1.917119 1.301523
H 2.981270 1.568710 -1.012536
H 2.870331 0.694806 1.946550
H 3.544963 2.209956 1.288694
H 5.370419 0.489829 1.782065
H 5.319151 0.905471 0.054061
H 4.176392 -0.908897 -1.647657
H 3.320194 -2.291129 -0.895300
H 5.502811 -1.582012 0.317122
H 4.059710 -1.604948 1.364372
H -1.252706 -1.578781 0.963658
H -1.350555 2.047075 -1.424233
H -3.862103 2.042905 -1.302879
H -4.633898 -2.482202 0.632949
H -3.239165 -2.625007 1.743780
H -4.587697 -1.504224 2.111617


