%chk=000191236.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191236

0 1
S 3.387719 2.933310 0.048717
O 0.620510 -1.435716 0.316695
O 4.448932 0.229999 0.183193
O -0.329311 0.618204 0.357417
O 4.025025 -2.613980 -0.143525
O 0.288354 -4.321600 0.177739
O 3.860348 2.339450 1.298118
O 2.798305 4.248784 0.069247
O -6.178621 -1.359657 -0.817210
O -6.561080 0.449854 0.304762
N 2.125475 1.886805 -0.533895
N -5.812275 -0.369679 -0.203097
C 2.009065 0.579861 0.154923
C 3.212165 -0.321382 -0.232982
C 3.042185 -1.726718 0.398544
C 1.694579 -2.354873 -0.015498
C 0.711692 -0.140117 -0.290343
C 1.355407 -3.611039 0.802707
C -1.649888 0.271866 0.174208
C 4.616071 2.833950 -1.162031
C -2.096914 -0.865832 -0.514259
C -2.537216 1.201837 0.757987
C -3.468313 -1.071499 -0.634762
C -3.900641 0.983400 0.634315
C -4.364761 -0.148869 -0.067787
H 1.974395 0.700294 1.278251
H 3.337238 -0.395535 -1.341597
H 3.167538 -1.687969 1.503593
H 1.662298 -2.569411 -1.107526
H 0.538346 -0.202870 -1.380754
H 1.199003 2.332802 -0.656147
H 2.202963 -4.329914 0.775592
H 1.088868 -3.361639 1.845568
H 4.418298 0.587367 1.131575
H 4.919142 -2.193137 -0.080080
H 5.138873 1.853362 -1.150964
H 4.243405 2.955575 -2.191016
H 5.408447 3.590376 -1.046370
H -0.550236 -3.815939 0.274990
H -1.390372 -1.589880 -0.919422
H -2.141809 2.064104 1.295552
H -3.859096 -1.948180 -1.166675
H -4.625715 1.680534 1.073244


%chk=000191236-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191236

0 1
S 3.341451 2.987583 0.178422
O 0.697498 -1.530517 0.657766
O 4.549353 0.064635 -0.158169
O -0.303289 0.595101 0.521936
O 4.088105 -2.756392 -0.270131
O 0.130632 -4.302657 0.598918
O 4.139386 2.260314 1.428364
O 2.596998 4.407140 0.413143
O -6.191274 -1.285408 -1.154178
O -6.639258 0.656900 -0.041501
N 2.042662 1.772506 -0.484997
N -5.823044 -0.237828 -0.492849
C 2.079062 0.457779 0.218391
C 3.192167 -0.465881 -0.328153
C 3.108016 -1.861965 0.334103
C 1.716865 -2.477832 0.108362
C 0.725863 -0.252206 -0.037051
C 1.482794 -3.798522 0.843108
C -1.654526 0.306274 0.238211
C 4.526714 3.103402 -1.297342
C -2.090038 -0.844121 -0.466774
C -2.577713 1.267199 0.717090
C -3.465307 -1.016529 -0.710281
C -3.949794 1.090899 0.480624
C -4.378703 -0.049932 -0.237213
H 2.184530 0.570412 1.318889
H 3.068080 -0.583910 -1.421994
H 3.292092 -1.749010 1.426441
H 1.537213 -2.616149 -0.979375
H 0.556298 -0.403616 -1.128245
H 1.150234 2.266151 -0.262574
H 2.172154 -4.559437 0.447762
H 1.675431 -3.659934 1.927715
H 4.595435 0.637594 0.670366
H 4.946205 -2.255675 -0.312426
H 4.886538 2.076827 -1.455222
H 3.926536 3.486738 -2.132812
H 5.318184 3.798711 -0.983944
H -0.509454 -3.644084 0.973436
H -1.381798 -1.607451 -0.796789
H -2.203212 2.135669 1.265931
H -3.840996 -1.889475 -1.250449
H -4.689688 1.812998 0.834488


