%chk=000206569.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206569

0 1
S 4.154545 -0.402925 0.485806
O 1.607552 -0.147095 -0.457177
O -3.859884 0.616832 -0.453187
O -5.215877 -0.967615 0.571689
O 0.207863 3.407654 0.531772
N 1.633972 1.859961 1.379077
C 0.230662 -0.047855 -0.534353
C -0.309991 1.123864 0.050492
C 2.269624 -1.069117 -1.377569
C 3.731088 -0.690197 -1.254217
C -1.691791 1.290130 0.066040
C -0.593347 -1.028413 -1.096388
C -2.517660 0.294292 -0.497443
C -1.982259 -0.857046 -1.079704
C 0.522058 2.230612 0.629449
C 4.002989 -2.057214 1.245462
C 4.510637 -1.909994 2.664083
C -4.859347 -0.399990 -0.668534
C -4.315007 -1.956585 1.110370
H 1.876345 -0.909758 -2.398240
H 2.055588 -2.098898 -1.041548
H 3.944830 0.269923 -1.773883
H 4.388125 -1.453358 -1.709244
H -2.143414 2.192523 0.494069
H -0.176679 -1.926322 -1.542582
H -2.625849 -1.613459 -1.522959
H 4.595646 -2.795948 0.676938
H 2.947112 -2.384859 1.225852
H 5.558070 -1.577107 2.700809
H 3.920019 -1.188683 3.247061
H 4.461008 -2.868281 3.200157
H -4.541641 -1.140629 -1.413656
H -5.747991 0.205885 -0.938524
H 2.045132 0.933398 1.300100
H 2.263869 2.585387 1.692003
H -4.209148 -2.799745 0.424376
H -3.348796 -1.497089 1.343192
H -4.826653 -2.261777 2.032610


%chk=000206569-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206569

0 1
S 4.580348 -0.437304 0.296368
O 1.629559 0.003057 -0.685997
O -3.940470 0.551311 0.085179
O -5.690996 -1.122718 0.172813
O -0.078638 3.348608 1.286720
N 1.879036 2.184272 0.862310
C 0.230574 0.058143 -0.500913
C -0.295141 1.195602 0.186786
C 2.233094 -1.229863 -1.196588
C 3.741761 -1.002044 -1.298878
C -1.694920 1.299116 0.330255
C -0.640493 -0.943306 -0.983905
C -2.570421 0.305926 -0.159135
C -2.038289 -0.830980 -0.811360
C 0.510330 2.326452 0.806952
C 4.228045 -1.934665 1.412177
C 5.043784 -1.796184 2.706016
C -4.985502 -0.181032 -0.647991
C -4.898120 -2.280067 0.608054
H 1.833264 -1.459858 -2.206666
H 1.986508 -2.073343 -0.519748
H 3.960273 -0.198230 -2.021756
H 4.229478 -1.931079 -1.644691
H -2.090526 2.181893 0.841862
H -0.248220 -1.824240 -1.500157
H -2.678218 -1.635737 -1.183671
H 4.515204 -2.842537 0.851914
H 3.146259 -1.963006 1.627204
H 6.126782 -1.766557 2.493714
H 4.773560 -0.875329 3.252815
H 4.845376 -2.655800 3.372182
H -4.550413 -0.657803 -1.553011
H -5.739297 0.574468 -0.912759
H 2.358123 1.369727 0.464435
H 2.406112 2.936545 1.304275
H -4.539024 -2.871652 -0.260597
H -4.037762 -1.963696 1.226328
H -5.579620 -2.897588 1.211663


