%chk=000200607.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200607

0 1
S -0.465710 1.763265 0.173261
O -0.533687 2.664038 -0.976337
O -0.453389 2.340204 1.501489
O 4.491185 -1.203367 -0.317741
N 1.225949 -0.232494 0.689043
N -4.742869 -2.272691 -0.339156
N 2.318009 -0.918208 0.614272
C -1.699741 0.589440 0.031858
C 1.052740 0.890784 -0.050610
C -1.930468 -0.333380 1.064038
C -2.511758 0.565231 -1.112790
C -2.947348 -1.273366 0.964025
C -3.535636 -0.362158 -1.242047
C -3.758437 -1.297555 -0.198660
C 2.039177 1.367814 -0.935778
C 3.226463 0.654641 -1.038888
C 3.340458 -0.502802 -0.231915
C 4.616630 -2.393970 0.524209
H -1.301928 -0.314355 1.963506
H -2.337336 1.296050 -1.914450
H -3.111246 -1.986863 1.765798
H -4.154407 -0.373825 -2.133698
H 1.860293 2.275822 -1.526693
H 4.040205 0.953354 -1.696239
H -5.022736 -2.819195 0.457264
H -5.432106 -2.187035 -1.066195
H 3.843033 -3.121162 0.257621
H 4.543303 -2.112505 1.579878
H 5.621458 -2.740113 0.256834


%chk=000200607-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200607

0 1
S -0.455179 1.782107 0.338128
O -0.508017 2.841959 -0.918163
O -0.461654 2.283467 1.889821
O 4.651835 -1.194718 -0.442346
N 1.415259 -0.230844 0.839544
N -4.979603 -2.176637 -0.394063
N 2.597540 -0.931974 0.682466
C -1.821180 0.532107 0.098200
C 1.185068 0.809700 0.027642
C -2.184505 -0.281045 1.187687
C -2.483473 0.491020 -1.141643
C -3.241935 -1.190468 1.017684
C -3.542246 -0.418873 -1.304990
C -3.933911 -1.275867 -0.230408
C 2.033120 1.285539 -0.999938
C 3.236218 0.593702 -1.162068
C 3.470328 -0.511702 -0.288110
C 4.899703 -2.338933 0.471403
H -1.657251 -0.194314 2.142623
H -2.185198 1.172083 -1.945753
H -3.540633 -1.837978 1.850047
H -4.076431 -0.466358 -2.261002
H 1.731822 2.144796 -1.606310
H 3.980333 0.863576 -1.914902
H -5.271934 -2.781208 0.368357
H -5.485818 -2.235612 -1.272995
H 4.119647 -3.107326 0.343218
H 4.900504 -1.997995 1.519727
H 5.887694 -2.712605 0.168046


