%chk=000257381.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257381

0 1
S -2.173974 1.408545 0.999968
O -0.652384 -0.343224 -2.035244
O -4.222628 -1.739782 0.303193
N -2.360082 -0.982204 -0.725018
C -0.705961 0.747560 0.138349
C 0.177085 -0.025464 1.130861
C 0.003911 1.973988 -0.450964
C -1.198033 -0.186220 -0.964609
C 1.602045 -0.208500 0.670212
C -2.983348 -0.101898 1.539868
C -0.852683 2.808681 -1.394734
C -3.272063 -0.990001 0.368044
C 1.909057 -1.075826 -0.388550
C 2.635691 0.479035 1.324839
C 3.237009 -1.253438 -0.785163
C 3.962439 0.295554 0.925555
C 4.266293 -0.570974 -0.128743
H -0.259154 -1.025179 1.346345
H 0.174307 0.504777 2.110998
H 0.904706 1.616241 -1.007246
H 0.398418 2.606010 0.371609
H -3.937941 0.184079 2.044606
H -2.401776 -0.644867 2.314063
H -1.252020 2.206375 -2.222820
H -1.701089 3.291937 -0.896245
H -0.254059 3.609049 -1.849605
H -2.623119 -1.606157 -1.512789
H 1.114717 -1.601441 -0.919514
H 2.409761 1.157120 2.145318
H 3.468553 -1.924987 -1.611347
H 4.760957 0.830145 1.437820
H 5.299665 -0.712836 -0.438855


%chk=000257381-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257381

0 1
S -2.417479 1.388816 1.033838
O -0.423888 0.144341 -2.111972
O -3.626719 -2.331613 0.057450
N -1.962204 -1.011833 -0.852133
C -0.739841 0.960314 0.187314
C 0.178107 0.221952 1.232571
C -0.107000 2.299543 -0.267217
C -1.024340 0.046105 -1.011196
C 1.552683 -0.187609 0.715634
C -3.000398 -0.369196 1.352273
C -0.962629 3.170281 -1.211601
C -2.901920 -1.305292 0.155541
C 1.741037 -1.436626 0.069185
C 2.676802 0.659965 0.891713
C 3.014769 -1.824137 -0.401053
C 3.953662 0.275635 0.424731
C 4.126073 -0.967745 -0.226224
H -0.348062 -0.675628 1.605167
H 0.280909 0.917487 2.085972
H 0.844021 2.047696 -0.770154
H 0.147059 2.871663 0.647119
H -4.062076 -0.302769 1.636665
H -2.451432 -0.809552 2.203258
H -1.189996 2.632159 -2.147049
H -1.915615 3.476606 -0.745412
H -0.404886 4.086558 -1.476708
H -2.010681 -1.640190 -1.666198
H 0.887229 -2.113718 -0.061367
H 2.552686 1.621412 1.405310
H 3.141114 -2.791784 -0.899163
H 4.811598 0.941193 0.571982
H 5.115716 -1.267936 -0.588075


