%chk=000194512.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194512

0 1
S 2.635595 -1.093973 -1.241137
O 0.291652 -1.285575 -0.342970
O 1.813950 -0.232311 1.160349
O 1.970350 1.956794 -0.126515
O -0.740624 2.717180 -0.140789
O -2.524656 0.825166 0.794727
O -3.060752 -1.316146 -0.650933
N 1.962207 -1.494766 1.821669
C 1.339337 -0.373052 -0.179874
C 0.958078 1.084890 -0.587295
C -0.896146 -1.022637 0.473531
C -0.429576 1.387957 -0.073946
C -1.279582 0.428461 0.360718
C -1.928050 -2.006816 -0.101401
H 0.990409 1.215671 -1.702401
H -0.619515 -1.276357 1.527498
H -2.380197 -2.638144 0.687909
H -1.463133 -2.653122 -0.873665
H 3.456933 -0.013630 -1.191395
H 1.875181 2.124366 0.844628
H -1.685285 2.862942 0.172375
H -3.213731 0.120103 0.541774
H -2.812106 -0.885718 -1.503019
H 2.099175 -1.178642 2.783473
H 2.853584 -1.872040 1.492387


%chk=000194512-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194512

0 1
S 2.740101 -0.946872 -1.310823
O 0.237996 -1.228744 -0.444263
O 1.732278 -0.293140 1.208232
O 1.986353 2.074135 0.025055
O -0.876397 2.771991 -0.220080
O -2.651455 0.834830 0.681938
O -2.950233 -1.392728 -0.863900
N 1.992514 -1.697133 1.717205
C 1.324116 -0.315602 -0.185038
C 0.958747 1.170538 -0.494973
C -0.892001 -0.977661 0.512490
C -0.455155 1.451409 -0.031016
C -1.306657 0.476223 0.394374
C -2.021136 -1.951320 0.142198
H 1.009558 1.323849 -1.586539
H -0.511618 -1.236298 1.519963
H -2.656262 -2.145390 1.020013
H -1.579683 -2.902580 -0.206783
H 3.497150 0.189370 -1.057205
H 1.994823 1.991256 1.014263
H -1.833161 2.821915 0.054617
H -3.228406 0.202963 0.151053
H -2.470666 -1.279236 -1.722811
H 2.491894 -1.476823 2.599348
H 2.680399 -2.084352 1.028380


