%chk=000227700.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227700

0 1
S 1.113828 0.369041 1.042929
O -1.638182 1.634596 -0.378422
O -0.972353 -0.119724 -1.608745
N -2.527459 -1.400360 0.638723
C 2.487214 -0.332870 0.021284
C -0.076567 -0.997639 1.181853
C -1.441182 -0.407661 0.810742
C 2.097864 -0.294661 -1.440515
C 3.683593 0.543623 0.346992
C -1.300413 0.317267 -0.530661
H 2.671238 -1.381046 0.352677
H -0.072047 -1.382538 2.217889
H 0.201158 -1.839773 0.521900
H -1.773273 0.337328 1.592236
H 2.871807 -0.745690 -2.074265
H 1.157387 -0.831711 -1.646551
H 1.941395 0.729576 -1.806638
H 4.568426 0.222200 -0.219578
H 3.949745 0.506183 1.412164
H 3.514279 1.599241 0.091875
H -2.744902 -1.861127 1.516405
H -2.282539 -2.113982 -0.043863
H -1.553718 2.155226 -1.222033


%chk=000227700-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227700

0 1
S 1.229898 0.434476 1.147545
O -2.146247 1.559710 -0.500075
O -1.220524 -0.236763 -1.642705
N -2.544093 -1.401669 0.836072
C 2.620526 -0.302281 0.039965
C -0.067500 -0.949765 1.046026
C -1.488033 -0.379259 0.812674
C 2.273056 -0.169322 -1.451686
C 3.923055 0.424076 0.419471
C -1.567753 0.295147 -0.562300
H 2.686026 -1.366636 0.333556
H -0.048967 -1.523508 1.987720
H 0.206857 -1.609619 0.203801
H -1.723345 0.378571 1.578069
H 3.050963 -0.663047 -2.067695
H 1.296924 -0.623499 -1.695701
H 2.227356 0.896137 -1.740693
H 4.760804 0.033764 -0.188904
H 4.168720 0.283588 1.486340
H 3.840529 1.508981 0.222171
H -2.948864 -1.631457 1.742341
H -2.428138 -2.184925 0.191103
H -2.225952 1.932796 -1.420694


