%chk=000273727.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000273727

0 1
S 1.363810 0.947363 -1.859216
O -3.432140 -0.494491 -0.824917
O 0.111304 -0.147192 -1.435959
O -0.586186 0.355720 1.237690
O -2.727834 1.783446 1.978858
O -1.590206 -1.776877 -0.216050
O -5.794513 -0.833666 0.868135
O 0.838822 2.231211 -1.453513
O 1.643191 0.692879 -3.245477
C -1.231603 1.091631 0.197745
C -1.182232 0.368692 -1.166437
C -2.700246 1.347148 0.624651
C -3.568825 0.072672 0.508240
C -2.108260 -0.877342 -1.191573
C -5.068169 0.373875 0.624459
C 2.621648 0.391266 -0.854489
C -2.215803 -3.079281 -0.192673
C 3.822290 -0.060247 -1.423697
C 2.463829 0.379014 0.538164
C 4.861631 -0.502075 -0.610336
C 3.502606 -0.063285 1.356542
C 4.709942 -0.505803 0.789909
C 5.829597 -0.963747 1.660951
H -0.653975 2.055135 0.174582
H -1.495516 1.070347 -1.979633
H -3.140717 2.199701 0.058823
H -3.254473 -0.699892 1.245055
H -2.229508 -1.344623 -2.187245
H -5.460157 0.867120 -0.282959
H -5.277741 0.990975 1.523462
H -0.727818 -0.627492 1.108102
H -2.048380 1.283029 2.508561
H -5.712381 -1.428462 0.090111
H -1.748988 -3.555539 0.677590
H -1.972183 -3.620185 -1.112077
H -3.297499 -2.978524 -0.058360
H 3.942695 -0.067313 -2.514227
H 1.515600 0.707778 0.994261
H 5.792588 -0.846719 -1.057488
H 3.372995 -0.065209 2.438007
H 6.536890 -0.139845 1.850232
H 5.486694 -1.320589 2.642507
H 6.407222 -1.782204 1.207687


%chk=000273727-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000273727

0 1
S 1.383718 0.750557 -2.042115
O -3.567165 -0.438323 -0.832261
O 0.092488 -0.481035 -1.364885
O -0.687019 -0.060803 1.402932
O -2.637118 1.730831 2.123606
O -1.853320 -1.989071 -0.127636
O -6.066523 -0.467521 0.475380
O 0.776919 2.231035 -1.750475
O 1.786392 0.355769 -3.555811
C -1.204906 0.829959 0.342904
C -1.194139 0.148103 -1.042140
C -2.638734 1.290239 0.728654
C -3.678251 0.162038 0.542667
C -2.245680 -0.983228 -1.109930
C -5.125409 0.644742 0.636416
C 2.787784 0.289413 -0.883645
C -2.642258 -3.232586 -0.192688
C 4.050549 0.101124 -1.469806
C 2.530962 0.170642 0.492086
C 5.127230 -0.202086 -0.609149
C 3.631045 -0.135911 1.323478
C 4.937482 -0.314866 0.794158
C 6.110210 -0.608350 1.710549
H -0.541130 1.709782 0.337081
H -1.467465 0.902814 -1.805573
H -2.921798 2.171409 0.123927
H -3.500724 -0.639536 1.286261
H -2.313699 -1.421974 -2.121612
H -5.304399 1.433290 -0.125271
H -5.308840 1.061412 1.638679
H -0.933688 -0.998857 1.143970
H -2.004452 1.117334 2.593978
H -5.878238 -0.880736 -0.406651
H -2.215593 -3.899776 0.570558
H -2.539304 -3.694149 -1.193102
H -3.707681 -3.035087 0.025069
H 4.184062 0.177444 -2.553327
H 1.519239 0.261816 0.907250
H 6.125203 -0.353667 -1.035582
H 3.464097 -0.244903 2.400926
H 6.632811 0.327598 1.987651
H 5.783222 -1.091222 2.647208
H 6.852120 -1.265265 1.224266


