%chk=000196806.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196806

0 1
Cl 5.916313 0.369370 0.996835
S 3.755678 2.305763 -0.540455
O -5.708672 2.943644 0.697687
O 0.232712 -2.715473 -0.772887
O 2.493727 2.918695 -0.908893
O 4.648115 2.934920 0.400114
N -1.963349 -1.076838 -0.181474
N -0.650978 -0.885973 0.349607
N 4.631730 2.097552 -1.996160
C -2.655083 -2.288017 0.467349
C -4.014100 -1.773215 1.030979
C -4.032716 -0.310723 0.710526
C -2.825345 0.068731 0.065197
C -2.820678 -3.335723 -0.625019
C -5.034234 0.618480 0.942108
C -2.610432 1.377494 -0.367174
C -4.790915 1.939094 0.511569
C -3.607218 2.329684 -0.133742
C 0.393878 -1.652432 -0.210460
C 1.756870 -1.097556 0.102966
C 2.124980 0.188091 -0.295529
C 3.413486 0.676788 -0.028070
C 2.686767 -1.928186 0.753080
C 4.318846 -0.155057 0.629485
C 3.969045 -1.455576 1.023492
H -2.032821 -2.702110 1.297272
H -4.101647 -1.957766 2.116182
H -4.867802 -2.298208 0.561402
H -1.832765 -3.590214 -1.055645
H -3.268884 -4.255486 -0.241342
H -3.430461 -2.970291 -1.460138
H -5.961966 0.343160 1.429389
H -0.447513 0.048912 0.723451
H -1.694887 1.657934 -0.887338
H -3.484040 3.364668 -0.448882
H 1.402932 0.828264 -0.824977
H 2.398882 -2.945382 1.037636
H -6.528239 2.623014 1.147645
H 4.696869 -2.091025 1.532021
H 4.205943 2.392943 -2.871751
H 5.624573 2.320950 -2.006453


%chk=000196806-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000196806

0 1
Cl 6.180112 -0.138815 -0.353716
S 3.847143 2.107623 0.713835
O -5.863470 2.951437 -0.657477
O -0.128015 -2.600403 -1.319795
O 2.407115 2.843071 0.918330
O 4.911423 1.994955 1.931721
N -2.070187 -1.124288 0.138725
N -0.687644 -0.893689 0.189340
N 4.593193 2.919854 -0.739410
C -2.681235 -1.914229 1.277294
C -4.194923 -1.558064 1.149780
C -4.183811 -0.198961 0.461848
C -2.911575 0.001674 -0.129347
C -2.355293 -3.408266 1.192881
C -5.197192 0.758216 0.300539
C -2.624131 1.153289 -0.887266
C -4.911528 1.929270 -0.453262
C -3.640668 2.124502 -1.041151
C 0.207840 -1.629003 -0.586167
C 1.655657 -1.198908 -0.469717
C 2.067795 0.076678 -0.011567
C 3.437263 0.377100 0.035229
C 2.639684 -2.127093 -0.894159
C 4.414461 -0.542190 -0.376428
C 4.010851 -1.808244 -0.851075
H -2.290288 -1.495149 2.235621
H -4.700904 -1.557400 2.130444
H -4.698031 -2.309651 0.509008
H -1.268558 -3.586300 1.271645
H -2.853830 -3.954904 2.014553
H -2.692821 -3.818643 0.226334
H -6.187970 0.608311 0.749591
H -0.340329 -0.189149 0.855898
H -1.645590 1.297498 -1.355316
H -3.464257 3.038842 -1.614864
H 1.368959 0.869562 0.282869
H 2.300655 -3.095842 -1.274287
H -6.720644 2.724705 -0.219701
H 4.765213 -2.526281 -1.184831
H 4.189943 3.866567 -0.825381
H 5.622187 2.895218 -0.670965


