%chk=000275321.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000275321

0 1
S 2.602777 0.394952 -0.231115
O -2.018997 -0.300534 -0.174022
N -0.816935 -0.312677 0.508841
N 1.416549 2.901387 0.410640
C 1.493128 -0.835152 0.573765
C 0.176554 -0.825831 -0.165017
C 2.238957 -2.151174 0.486034
C 0.110081 -1.381485 -1.549674
C -3.012966 0.412058 0.664446
C -4.259427 0.341275 -0.194564
C 1.868944 1.867173 0.168748
H 1.348051 -0.545352 1.648804
H 3.171600 -2.135781 1.068762
H 2.497777 -2.437145 -0.543196
H 1.623295 -2.969031 0.893121
H 0.083910 -2.479941 -1.535306
H 0.963580 -1.070584 -2.167583
H -0.803024 -1.045153 -2.070195
H -3.110195 -0.120009 1.624282
H -2.654899 1.441160 0.833456
H -5.105844 0.836226 0.296046
H -4.103529 0.827367 -1.167554
H -4.547887 -0.698349 -0.400020


%chk=000275321-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000275321

0 1
S 2.776811 0.453895 -0.174656
O -2.020387 -0.333568 -0.193680
N -0.772534 -0.336082 0.546464
N 1.302978 2.946163 0.316038
C 1.519219 -0.885102 0.586875
C 0.215656 -0.851361 -0.163995
C 2.289965 -2.211391 0.519240
C 0.118062 -1.356425 -1.583339
C -3.042793 0.373980 0.626097
C -4.334207 0.358241 -0.188590
C 1.886893 1.915006 0.127078
H 1.363087 -0.543585 1.621920
H 3.240486 -2.145615 1.076029
H 2.510406 -2.509182 -0.520596
H 1.676472 -3.007166 0.979297
H -0.108205 -2.439843 -1.602207
H 1.068628 -1.192415 -2.119452
H -0.697532 -0.841896 -2.116154
H -3.150366 -0.157963 1.589669
H -2.685204 1.401488 0.821764
H -5.133905 0.871937 0.375033
H -4.199898 0.880027 -1.151668
H -4.662131 -0.675744 -0.392468


