%chk=000227827.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227827

0 1
Cl 7.331296 -1.104440 -1.458378
S -0.450858 2.455679 0.572930
O -0.493104 3.580805 -0.355481
O -0.464031 2.695099 2.008220
O 4.772346 -1.901187 1.168049
O -5.174404 -2.444001 1.045695
N 4.405814 -0.718269 -0.784020
N -5.012189 -1.103836 -0.827770
C 0.962943 1.520313 0.198776
C -1.770317 1.403574 0.183182
C 1.558826 1.632461 -1.061606
C 1.530815 0.683925 1.163810
C -2.231203 0.469376 1.116804
C -2.405104 1.513539 -1.058523
C 3.248708 0.029341 -0.402684
C -3.918044 -0.276008 -0.445306
C 2.694799 0.891313 -1.377241
C 2.666468 -0.071377 0.872610
C -3.293756 -0.378175 0.811886
C -3.471113 0.680829 -1.387327
C 5.110332 -1.619532 0.038780
C -5.592045 -2.146004 -0.050995
C 6.314909 -2.280903 -0.614807
C -6.749347 -2.821436 -0.728621
H 1.137221 2.318710 -1.806504
H 1.091330 0.624444 2.167074
H -1.763210 0.405269 2.106229
H -2.068430 2.270384 -1.778215
H 3.147799 0.990299 -2.360324
H 3.100703 -0.726545 1.636269
H -3.643033 -1.110865 1.548524
H -3.952952 0.779237 -2.355926
H 4.767537 -0.522575 -1.724494
H -5.411677 -0.912337 -1.750378
H 6.927260 -2.779692 0.172441
H 5.998507 -3.070340 -1.328019
H -6.467592 -3.299857 -1.676258
H -7.147948 -3.619740 -0.077182
H -7.582955 -2.133980 -0.928122


%chk=000227827-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227827

0 1
Cl 6.973238 -1.597936 -2.411836
S -0.453659 2.394294 0.626963
O -0.500729 3.639914 -0.439803
O -0.472753 2.588493 2.252859
O 5.160316 -1.883401 1.227222
O -5.617042 -2.403231 1.104286
N 4.650197 -0.654572 -0.723632
N -5.228801 -1.108500 -0.817427
C 1.110807 1.410492 0.219445
C -1.905665 1.267083 0.191363
C 1.683419 1.574740 -1.052082
C 1.682034 0.609725 1.219720
C -2.406013 0.396836 1.171903
C -2.480898 1.395967 -1.083071
C 3.457577 0.027190 -0.356590
C -4.108624 -0.327335 -0.430205
C 2.867036 0.870098 -1.338988
C 2.867697 -0.097906 0.931774
C -3.515396 -0.416274 0.861208
C -3.589076 0.586473 -1.391577
C 5.403061 -1.526751 0.035327
C -5.923778 -2.077898 -0.076873
C 6.655788 -2.123015 -0.616134
C -7.090708 -2.706266 -0.837050
H 1.228602 2.256110 -1.778212
H 1.225099 0.561331 2.213722
H -1.956572 0.373172 2.170239
H -2.087337 2.129627 -1.794000
H 3.339021 0.979392 -2.322895
H 3.339832 -0.732190 1.683838
H -3.932241 -1.106844 1.595631
H -4.059861 0.669482 -2.379203
H 5.004047 -0.486274 -1.673615
H -5.575849 -0.937749 -1.764732
H 7.546345 -1.815816 -0.048606
H 6.573993 -3.219427 -0.629815
H -6.746717 -3.206333 -1.761408
H -7.568786 -3.453491 -0.188269
H -7.843305 -1.945712 -1.116377


