%chk=000220529.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220529

0 1
S 1.867752 -0.200003 0.433384
O 2.275313 0.631837 1.532356
O 2.030894 -1.639455 0.484449
O -2.650787 -2.200535 -0.274607
O -2.590020 2.383774 -0.076612
N -0.619135 -1.166100 0.036349
N -2.645262 0.115211 -0.181683
C 2.506598 0.424669 -1.077055
C 0.094075 0.011497 0.205715
C -0.495126 1.224497 0.181831
C 4.020535 0.275365 -1.080711
C -2.039963 -1.161510 -0.145197
C -1.943286 1.362952 -0.020616
H 2.082528 -0.098358 -1.961871
H 2.240823 1.492184 -1.238635
H -0.141801 -2.084313 0.119872
H 0.039718 2.163229 0.342379
H 4.452345 0.658892 -2.016787
H 4.497143 0.836552 -0.261911
H 4.336297 -0.776156 -0.996680
H -3.667440 0.144972 -0.314472


%chk=000220529-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000220529

0 1
S 1.864367 -0.139511 0.451782
O 2.385950 0.835963 1.646318
O 1.988824 -1.781471 0.520419
O -2.673821 -2.276343 -0.351055
O -2.827292 2.397538 0.057053
N -0.667321 -1.100228 -0.009461
N -2.702842 0.069889 -0.156309
C 2.678887 0.447333 -1.222479
C -0.037503 0.105532 0.189117
C -0.652032 1.320083 0.241701
C 4.181165 0.205963 -1.129227
C -2.073239 -1.189496 -0.184916
C -2.114443 1.359225 0.050449
H 2.163940 -0.161388 -1.982655
H 2.392145 1.508858 -1.290524
H -0.104977 -1.966334 0.059152
H -0.123627 2.251818 0.446087
H 4.653470 0.542672 -2.070524
H 4.629145 0.777448 -0.298692
H 4.410771 -0.864351 -0.993583
H -3.720366 0.056003 -0.283152


