%chk=000248737.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248737

0 1
Cl -8.912034 -0.594798 -0.327849
S 0.497968 -0.589758 -0.653457
S 3.029947 0.848877 0.106140
S -2.411908 0.844800 0.109102
N -0.903185 2.840261 1.021434
N 0.185080 3.478049 1.299477
C 0.349011 0.959868 0.157497
C 0.042036 -1.775499 0.661956
C 1.527052 1.655868 0.467235
C 0.174329 -3.107461 0.001054
C 4.327814 1.977231 0.716579
C -0.869869 1.586431 0.446911
C -3.636195 2.051469 0.723640
C 5.590598 1.224877 0.446752
C -4.946753 1.391847 0.461978
C 1.410354 -3.774419 -0.001999
C -0.936494 -3.699394 -0.621988
C 1.413645 2.934881 1.041554
C 6.215834 1.323823 -0.806882
C 6.157110 0.415417 1.444692
C -5.566847 0.630052 1.467366
C -5.567091 1.528804 -0.792142
C 1.528884 -5.023160 -0.617142
C -0.810539 -4.948507 -1.234867
C -6.796404 0.012443 1.228286
C -6.796083 0.914947 -1.042623
C 7.398109 0.621928 -1.054933
C 7.340133 -0.282775 1.189597
C 0.420128 -5.613017 -1.232628
C -7.392178 0.165506 -0.025687
C 7.962854 -0.180728 -0.058506
H -0.985701 -1.581588 1.026693
H 0.716473 -1.663638 1.532171
H 4.193125 2.198961 1.792365
H 4.297211 2.945223 0.180094
H -3.522490 3.022754 0.198128
H -3.462321 2.277468 1.795769
H 2.279452 -3.316137 0.468209
H -1.895654 -3.183082 -0.633856
H 2.273216 3.553874 1.308579
H 5.778750 1.942351 -1.589685
H 5.675046 0.326645 2.416840
H -5.088323 0.517118 2.440545
H -5.087598 2.114495 -1.577682
H 2.489020 -5.536782 -0.618589
H -1.673984 -5.404078 -1.717402
H -7.281991 -0.578137 2.005027
H -7.280914 1.017887 -2.013476
H 7.879694 0.699881 -2.028865
H 7.777222 -0.909291 1.965909
H 0.515257 -6.585802 -1.710791
H 8.884303 -0.725888 -0.254530


%chk=000248737-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248737

0 1
Cl -9.151386 -0.576203 -0.239274
S 0.634324 -0.759261 -0.994181
S 3.343371 0.796272 -0.090197
S -2.243644 0.583037 -0.222898
N -0.818588 2.621583 0.923424
N 0.322472 3.299195 1.279207
C 0.550574 0.830245 -0.080162
C 0.269028 -1.968372 0.491330
C 1.721647 1.528438 0.297401
C -0.094006 -3.326398 -0.045934
C 4.546645 2.073805 0.713170
C -0.698317 1.427436 0.254377
C -3.527652 1.785375 0.570123
C 5.958398 1.572678 0.532035
C -4.904650 1.206589 0.369326
C 0.886212 -4.346704 -0.153892
C -1.425500 -3.603835 -0.455139
C 1.543489 2.773920 0.972206
C 6.700747 1.910602 -0.629150
C 6.561815 0.749421 1.517854
C -5.467773 0.329166 1.332478
C -5.664601 1.524108 -0.786424
C 0.541830 -5.623423 -0.651638
C -1.770451 -4.879007 -0.951738
C -6.757810 -0.217630 1.156981
C -6.956423 0.987273 -0.981084
C 8.021615 1.440322 -0.798549
C 7.882759 0.278833 1.350422
C -0.787754 -5.892985 -1.050428
C -7.481978 0.121929 -0.002258
C 8.616280 0.623372 0.191197
H -0.559614 -1.499070 1.044316
H 1.185521 -1.979182 1.100119
H 4.272588 2.154255 1.777632
H 4.382809 3.037404 0.204242
H -3.382885 2.757079 0.076300
H -3.244339 1.886135 1.627929
H 1.918507 -4.138545 0.152977
H -2.183592 -2.814408 -0.386327
H 2.384155 3.392116 1.294018
H 6.241856 2.541204 -1.400086
H 5.994865 0.478584 2.416762
H -4.895139 0.071223 2.230713
H -5.245568 2.197212 -1.542973
H 1.306491 -6.404497 -0.727279
H -2.801304 -5.083151 -1.261736
H -7.189989 -0.889007 1.904380
H -7.539953 1.237500 -1.871642
H 8.585540 1.710697 -1.697994
H 8.339041 -0.352176 2.121015
H -1.056154 -6.882988 -1.435851
H 9.641589 0.259933 0.060899


