%chk=000207726.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207726

0 1
S 2.681332 0.425823 -1.219141
P 1.468953 -0.160968 0.399455
O 1.617962 1.045145 1.493085
O -1.406943 0.443962 1.289976
O 1.822262 -1.474680 0.965763
N -0.055843 -0.054530 -0.480231
C -2.522069 -0.167826 -0.792984
C -1.324181 0.092747 0.130958
C -2.966290 1.170348 -1.385192
C -3.630263 -0.833913 0.021047
C 4.126738 -0.660691 -0.985013
C 0.972874 2.312802 1.237935
H -2.229381 -0.857297 -1.624275
H -2.170518 1.647284 -1.968058
H -3.828456 1.037725 -2.050819
H -3.274347 1.875677 -0.600809
H -3.885922 -0.239455 0.911523
H -4.544293 -0.955110 -0.570291
H -3.329061 -1.826338 0.379096
H -0.039134 -0.292960 -1.491173
H 4.576703 -0.835230 -1.970070
H 3.868342 -1.638659 -0.546355
H 4.866643 -0.177714 -0.333968
H 1.182085 2.702347 0.237329
H 1.436866 2.959097 1.999716
H -0.106961 2.219114 1.439196


%chk=000207726-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000207726

0 1
S 2.803702 0.214268 -1.352159
P 1.434976 -0.114714 0.492358
O 1.529356 1.257566 1.521986
O -1.546508 0.741617 1.284626
O 1.756706 -1.456378 1.280645
N -0.101121 0.006334 -0.403014
C -2.537301 0.078720 -0.872868
C -1.376499 0.316895 0.112203
C -3.460285 1.319324 -0.903034
C -3.309699 -1.189424 -0.415746
C 4.151610 -1.016173 -0.838920
C 1.196567 2.601034 1.001252
H -2.132132 -0.099353 -1.889315
H -2.934937 2.210614 -1.291517
H -4.336179 1.126480 -1.547965
H -3.814827 1.546966 0.116969
H -3.714302 -1.038100 0.600198
H -4.151258 -1.385430 -1.103927
H -2.660128 -2.083038 -0.398305
H -0.043184 -0.326479 -1.371813
H 4.392444 -1.618968 -1.726565
H 3.749403 -1.661711 -0.038929
H 5.030677 -0.461535 -0.483982
H 1.761151 2.817599 0.074358
H 1.510107 3.287365 1.801380
H 0.108759 2.683219 0.838782


