%chk=000268481.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268481

0 1
S 4.151379 -2.597560 -0.531629
O -2.555551 -2.188217 -0.041299
O -1.554828 2.172282 1.578179
O -3.552423 3.039653 -0.258855
C 0.322197 -1.034258 -0.223380
C -0.409342 -0.392378 0.964477
C -1.818120 0.002991 0.634527
C 1.758082 -1.425434 0.151868
C -2.771907 -0.864501 0.205272
C -4.183149 -0.493070 -0.030253
C 2.486650 -2.045378 -1.031311
C -2.174039 1.414431 0.874782
C -4.521495 0.877025 -0.043944
C -3.457199 1.907966 0.140193
C -5.173571 -1.459273 -0.232529
C -5.845325 1.266035 -0.261715
C -6.500844 -1.061083 -0.439517
C -6.836489 0.294035 -0.452978
C 5.027334 -1.085261 -0.314425
C 5.555753 -0.423169 -1.424708
C 5.231974 -0.601191 0.979271
C 6.512261 1.247228 0.058238
C 6.296839 0.745664 -1.237142
C 5.976406 0.566353 1.164563
C 7.291836 2.505591 0.255540
H 0.328974 -0.330234 -1.079743
H -0.235031 -1.932444 -0.575694
H 0.156038 0.505637 1.310494
H -0.409366 -1.075014 1.840556
H 1.748679 -2.126920 1.011238
H 2.306337 -0.527393 0.509590
H 1.971034 -2.951083 -1.405919
H 2.558662 -1.340908 -1.880036
H -4.905183 -2.518837 -0.229244
H -6.097363 2.330223 -0.285266
H -7.272603 -1.816743 -0.592425
H -7.870185 0.600669 -0.615995
H -1.572628 -2.429575 0.029328
H 5.398437 -0.812778 -2.431140
H 4.820448 -1.127635 1.841586
H 6.709712 1.267769 -2.097849
H 6.139674 0.948859 2.170098
H 7.802143 2.535136 1.227796
H 8.063010 2.645414 -0.514088
H 6.628779 3.383473 0.212287


%chk=000268481-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000268481

0 1
S 4.261978 -2.698929 -0.808238
O -2.742493 -2.197444 0.851894
O -1.080988 2.263453 0.043964
O -3.696281 3.086715 -0.561722
C 0.347596 -1.003209 -0.407032
C -0.402249 -0.410315 0.822303
C -1.817855 0.025792 0.496098
C 1.766027 -1.494205 -0.033735
C -2.890688 -0.853153 0.513705
C -4.275459 -0.483921 0.178069
C 2.532892 -2.034283 -1.249688
C -2.033942 1.425416 0.105933
C -4.565647 0.862958 -0.194422
C -3.478570 1.884881 -0.246075
C -5.320796 -1.438200 0.217956
C -5.891643 1.234043 -0.519469
C -6.640787 -1.056208 -0.108810
C -6.929838 0.279495 -0.477824
C 5.124038 -1.120566 -0.388217
C 5.355061 -0.132740 -1.375841
C 5.609452 -0.920971 0.923963
C 6.544454 1.267322 0.271209
C 6.048322 1.049945 -1.042690
C 6.320816 0.259817 1.242789
C 7.284581 2.547404 0.618329
H 0.414022 -0.215907 -1.182188
H -0.235332 -1.836640 -0.851647
H 0.154300 0.478566 1.169165
H -0.377122 -1.138499 1.663871
H 1.702688 -2.288389 0.737336
H 2.338501 -0.659361 0.415742
H 2.024659 -2.903602 -1.705148
H 2.660343 -1.260216 -2.026099
H -5.090544 -2.467574 0.503725
H -6.082016 2.274905 -0.801054
H -7.443960 -1.799970 -0.075758
H -7.954701 0.570470 -0.730052
H -1.800057 -2.399008 1.085139
H 5.008870 -0.296789 -2.402496
H 5.431034 -1.684329 1.688450
H 6.218546 1.809370 -1.815913
H 6.697445 0.400773 2.263063
H 7.745727 2.490524 1.619190
H 8.085351 2.761309 -0.113272
H 6.600261 3.417370 0.614293


