%chk=000267507.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267507

0 1
S -0.819603 -2.437988 0.246380
O -0.063326 -3.213029 -0.708989
O -2.244364 -2.609330 0.344032
O 0.977061 2.457635 1.541831
O 0.444834 0.507379 2.304543
N -0.507637 -0.762469 -0.168745
N 0.916754 1.246931 1.452933
C 0.838894 -0.381358 -0.487283
C -1.537475 0.234564 -0.325662
C 1.512725 0.615441 0.254654
C 1.518375 -1.008030 -1.550986
C -0.093647 -2.567588 1.812410
C -1.360225 1.280253 -1.252593
C -2.706577 0.167830 0.452676
C 2.805163 1.029307 -0.114012
C 2.813032 -0.619636 -1.883531
C 3.453702 0.410082 -1.177723
C -2.349664 2.255906 -1.385364
C -3.687113 1.149674 0.296656
C -3.513661 2.197018 -0.613574
H 1.021842 -1.816768 -2.107529
H 0.147546 -1.588304 2.284855
H -0.739738 -3.068125 2.551845
H 0.854881 -3.126182 1.817406
H -0.467380 1.332854 -1.871793
H -2.878015 -0.647738 1.158215
H 3.292781 1.835576 0.442610
H 3.329753 -1.114729 -2.709356
H 4.458136 0.723539 -1.462466
H -2.210414 3.067631 -2.099318
H -4.596197 1.095371 0.896577
H -4.280843 2.960183 -0.721199


%chk=000267507-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000267507

0 1
S -0.719221 -2.308877 0.436889
O 0.409965 -3.055907 -0.492599
O -2.308534 -2.640315 0.211334
O 2.345530 2.049888 2.294447
O 1.348233 0.049905 2.742504
N -0.390586 -0.049011 0.390399
N 1.873151 0.904982 1.933798
C 0.881896 0.053666 -0.241139
C -1.524205 0.543953 -0.213328
C 2.000733 0.535342 0.503857
C 1.127235 -0.345225 -1.587314
C -0.297350 -2.672120 2.260059
C -1.465728 1.410725 -1.352871
C -2.787034 0.340667 0.429257
C 3.273442 0.703343 -0.075672
C 2.409426 -0.232692 -2.161298
C 3.481552 0.306421 -1.413332
C -2.630482 2.048178 -1.818366
C -3.946902 0.961187 -0.064985
C -3.878717 1.818189 -1.190648
H 0.301221 -0.766542 -2.167583
H -1.121382 -2.246288 2.847410
H -0.233119 -3.766309 2.339172
H 0.648687 -2.152890 2.459185
H -0.505818 1.623469 -1.832095
H -2.837553 -0.301452 1.311883
H 4.082908 1.128622 0.524754
H 2.571425 -0.568687 -3.190268
H 4.474938 0.407805 -1.861129
H -2.565374 2.731415 -2.672282
H -4.906004 0.784590 0.432727
H -4.782735 2.309868 -1.565265


