%chk=000290093.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290093

0 1
S 0.797371 -0.414823 -1.024944
O -0.229085 -0.753146 0.351927
O -2.211625 -2.949810 0.372077
O 0.228810 0.679366 -1.756055
O 0.853229 -1.724489 -1.629044
O -1.766551 3.143676 0.268763
O 0.086630 1.903478 0.378743
C -1.570768 -0.523637 0.272842
C 2.280414 -0.070339 -0.249745
C -2.073375 0.796691 0.269768
C -2.482751 -1.610455 0.300219
C -3.456146 1.026617 0.249848
C 3.088440 -1.133939 0.182047
C 2.697472 1.250571 -0.052719
C -3.869601 -1.358645 0.285470
C -4.345620 -0.049937 0.253859
C 4.307115 -0.874548 0.808721
C 3.921406 1.509714 0.574667
C 4.722178 0.449693 1.006569
C -1.126706 1.926150 0.302534
C -0.831574 -3.395596 0.315154
H -3.827563 2.054588 0.232191
H 2.768375 -2.169117 0.019468
H 2.064603 2.087006 -0.384083
H -4.552445 -2.210099 0.296973
H -5.420359 0.133215 0.233974
H 4.935081 -1.698703 1.144338
H 4.242920 2.539010 0.729450
H 5.674716 0.651130 1.499630
H -0.244227 -2.920223 1.106062
H -0.412362 -3.184409 -0.679966
H -0.945141 -4.472665 0.481404
H -1.122661 3.902972 0.264053


%chk=000290093-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000290093

0 1
S 0.889280 -0.635406 -0.963333
O -0.436255 -0.653163 0.795153
O -2.345622 -2.870757 0.533264
O 0.324538 0.540777 -1.946211
O 1.028811 -2.158072 -1.562628
O -2.039293 3.284380 -0.029480
O -0.195983 2.183983 0.815023
C -1.725696 -0.421003 0.491085
C 2.559670 -0.187228 -0.203738
C -2.254505 0.919375 0.285593
C -2.654142 -1.538576 0.377394
C -3.624631 1.107937 0.017208
C 3.595532 -1.126501 -0.351952
C 2.685859 1.039996 0.467359
C -4.031593 -1.304400 0.122376
C -4.507888 0.000988 -0.058570
C 4.856021 -0.791159 0.193171
C 3.957882 1.347922 1.005246
C 5.035014 0.440683 0.866415
C -1.373901 2.115973 0.392076
C -0.972126 -3.404281 0.683958
H -3.996433 2.123668 -0.131683
H 3.421440 -2.069759 -0.878716
H 1.827679 1.708025 0.589166
H -4.691337 -2.174529 0.056497
H -5.569333 0.166974 -0.267991
H 5.691569 -1.491099 0.088845
H 4.098191 2.293123 1.539698
H 6.014551 0.690702 1.288278
H -0.476289 -2.958936 1.560475
H -0.371438 -3.202805 -0.223232
H -1.132195 -4.484752 0.817386
H -1.407179 4.047214 0.056062


