%chk=000194447.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194447

0 1
S 2.649599 -0.149702 -0.277141
O -1.564844 1.712919 0.771300
O 2.943497 -0.758536 1.267166
O 3.948568 0.066409 -0.849196
O 1.741879 -1.079376 -0.907263
N -0.326349 0.692403 -0.836730
C -2.365844 -0.486077 0.023516
C -1.411486 0.737265 0.054966
C -1.575464 -1.724907 0.464822
C -3.511094 -0.207874 1.005327
C -2.919456 -0.660135 -1.396534
C 0.726777 1.721376 -0.775963
C 1.870048 1.333267 0.177919
H -0.728710 -1.948442 -0.199054
H -1.172118 -1.609368 1.477682
H -2.215991 -2.614722 0.473290
H -3.133342 -0.017303 2.018505
H -4.209314 -1.048119 1.057624
H -4.077191 0.687292 0.716805
H -2.146195 -0.952996 -2.114990
H -3.690107 -1.440197 -1.421808
H -3.381770 0.263444 -1.765288
H 0.273753 2.683196 -0.417097
H 1.113866 1.905720 -1.803485
H -0.081661 -0.182889 -1.320273
H 1.457935 1.274759 1.218530
H 2.591274 2.178156 0.249420
H 3.586140 -1.477062 1.344050


%chk=000194447-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194447

0 1
S 2.678977 -0.026108 -0.831076
O -1.247015 1.445783 1.352753
O 2.178115 -1.318103 0.418189
O 4.290448 0.084485 -0.875134
O 1.875667 -0.310820 -2.215900
N -0.399488 0.906546 -0.726246
C -2.249729 -0.506719 0.218090
C -1.276744 0.692909 0.326958
C -1.819844 -1.514744 1.326378
C -3.680778 0.018837 0.517983
C -2.222688 -1.207757 -1.163679
C 0.638195 1.931580 -0.625310
C 1.866943 1.446655 0.150386
H -0.789266 -1.878694 1.156100
H -1.857224 -1.031202 2.317524
H -2.502741 -2.384345 1.329506
H -3.693280 0.566915 1.474933
H -4.387818 -0.828785 0.581065
H -4.031637 0.702933 -0.276916
H -1.237343 -1.662295 -1.385034
H -2.961961 -2.028859 -1.169785
H -2.493781 -0.516424 -1.983877
H 0.225123 2.780348 -0.047113
H 0.912344 2.280605 -1.634391
H -0.342473 0.256944 -1.513039
H 1.612962 0.996211 1.121156
H 2.684435 2.181664 0.223827
H 2.623002 -2.179059 0.168751


