%chk=000248822.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248822

0 1
S 0.206339 1.933600 -1.128797
S -0.784150 -3.212960 -0.901617
O -3.238741 0.152136 1.678995
O -0.778931 1.321868 0.094655
O -4.980419 -0.164028 0.171507
O -1.058714 -2.556706 0.643610
O -0.655797 2.628142 -2.050357
O 1.003683 0.811574 -1.575424
O -1.305290 -2.211344 -1.807457
O -1.365187 -4.529966 -0.879888
C -1.803466 0.364817 -0.233870
C -2.039335 -0.409362 1.088930
C -3.125839 1.087398 -0.532585
C -4.034890 0.790845 0.662647
C -2.312091 -1.910008 0.888009
C 1.140097 3.026721 -0.200838
C -5.938303 -0.623215 1.146084
C 0.918709 -3.277238 -0.906745
C 2.235137 2.565925 0.541374
C 0.804611 4.387108 -0.176034
C 2.991893 3.455949 1.301724
C 1.557971 5.281694 0.581617
C 1.574238 -4.439770 -0.471281
C 1.667473 -2.180094 -1.351809
C 2.658033 4.822122 1.328441
C 2.963760 -4.506732 -0.480696
C 3.062182 -2.244604 -1.363599
C 3.719918 -3.405096 -0.929337
C 3.453829 5.774203 2.154710
C 5.209384 -3.488856 -0.942202
H -1.460341 -0.287192 -1.074156
H -1.238395 -0.220640 1.835039
H -2.969542 2.171452 -0.681789
H -3.582035 0.710367 -1.473494
H -4.528434 1.631291 1.174936
H -2.686762 -2.360827 1.829242
H -3.052197 -2.089332 0.084795
H -6.468691 -1.418639 0.609637
H -5.420705 -1.019483 2.026221
H -6.617586 0.189976 1.414875
H 2.503309 1.503663 0.522633
H -0.049999 4.751740 -0.759174
H 3.840289 3.091217 1.878235
H 1.291918 6.337458 0.596744
H 0.989174 -5.301652 -0.129189
H 1.167484 -1.256932 -1.699280
H 3.467800 -5.410317 -0.144137
H 3.630628 -1.384770 -1.716379
H 3.479334 6.786329 1.726138
H 3.021989 5.865978 3.164790
H 4.497938 5.455252 2.282206
H 5.556277 -4.268948 -1.637560
H 5.607867 -3.744479 0.050843
H 5.689583 -2.550237 -1.250247


%chk=000248822-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248822

0 1
S 0.171981 2.090132 -1.152632
S -0.835750 -3.416135 -0.750382
O -3.376262 0.306897 1.654882
O -1.003226 1.564223 0.198213
O -5.142025 -0.388468 0.136437
O -0.992936 -2.498398 0.892584
O -0.613095 2.927193 -2.294193
O 1.039453 0.778064 -1.564098
O -1.503698 -2.444256 -1.870282
O -1.379041 -4.930756 -0.583378
C -1.792109 0.347093 -0.139074
C -2.113468 -0.325995 1.211577
C -3.173075 0.699583 -0.736535
C -4.164531 0.639950 0.445418
C -2.312418 -1.855936 1.088516
C 1.196257 3.248191 -0.103236
C -6.207466 -0.498194 1.144808
C 1.031965 -3.425948 -0.864569
C 2.207957 2.701716 0.702045
C 0.915503 4.620893 -0.181240
C 2.980470 3.596987 1.472611
C 1.704152 5.492244 0.600686
C 1.684195 -4.628081 -0.540748
C 1.691289 -2.261448 -1.285993
C 2.737090 4.996783 1.440428
C 3.088807 -4.657087 -0.658146
C 3.099763 -2.325237 -1.393159
C 3.815152 -3.511557 -1.084475
C 3.551829 5.942030 2.302829
C 5.325669 -3.568327 -1.217417
H -1.197930 -0.309598 -0.799752
H -1.350739 -0.099241 1.973170
H -3.149756 1.690589 -1.214307
H -3.470377 -0.050447 -1.488222
H -4.673853 1.591165 0.695349
H -2.729886 -2.254866 2.029506
H -3.009450 -2.088611 0.260279
H -6.883494 -1.287766 0.783205
H -5.791359 -0.774563 2.131132
H -6.764543 0.457215 1.236453
H 2.394828 1.623569 0.715533
H 0.123075 4.991150 -0.839213
H 3.780057 3.202237 2.109407
H 1.512518 6.570213 0.558382
H 1.110665 -5.505058 -0.224723
H 1.159227 -1.334985 -1.529829
H 3.626794 -5.580997 -0.416461
H 3.640890 -1.432374 -1.724744
H 3.649393 6.937140 1.835766
H 3.066545 6.087464 3.287352
H 4.565565 5.549228 2.491974
H 5.626966 -4.277305 -2.011442
H 5.798276 -3.912874 -0.279241
H 5.749160 -2.582042 -1.470353


