%chk=000259833.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259833

0 1
S -2.826773 -1.209173 0.158240
O 0.330526 2.592994 0.678024
N -0.178053 -1.416087 -0.029004
N -1.052750 0.782305 0.423232
N 2.162866 -1.816233 -0.235032
N 2.658928 0.941780 0.241063
C 1.138172 -0.921438 -0.013061
C 1.388886 0.464226 0.226334
C -1.217703 -0.489093 0.199514
C -3.924437 0.218600 0.482298
C 0.240543 1.416281 0.466482
C -5.327049 -0.339507 0.459393
C 3.411930 -1.314783 -0.214538
C 3.659320 0.068421 0.024141
H -0.339982 -2.412249 -0.201825
H -3.662467 0.682035 1.455903
H -3.761178 1.001626 -0.286837
H -5.594676 -0.782378 -0.510715
H -5.495476 -1.103299 1.232131
H -6.059800 0.461550 0.648624
H 4.233208 -2.022615 -0.390538
H 4.680264 0.468138 0.038771


%chk=000259833-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000259833

0 1
S -2.834470 -1.347129 0.133909
O 0.318008 2.613562 0.682701
N -0.134101 -1.415700 -0.032357
N -1.075003 0.746277 0.417819
N 2.180967 -1.813901 -0.236537
N 2.659852 0.968971 0.247106
C 1.168810 -0.923583 -0.015718
C 1.387785 0.471804 0.228045
C -1.201670 -0.541467 0.188650
C -3.937082 0.170495 0.473590
C 0.208195 1.383224 0.462796
C -5.402514 -0.278313 0.475604
C 3.436764 -1.292755 -0.211949
C 3.674194 0.088428 0.027938
H -0.270170 -2.416479 -0.208613
H -3.608646 0.583505 1.439063
H -3.708997 0.902941 -0.315128
H -5.703854 -0.704597 -0.497159
H -5.603193 -1.025411 1.263225
H -6.043613 0.600167 0.672321
H 4.261728 -1.990349 -0.386734
H 4.691311 0.491411 0.044027


