%chk=000268924.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268924

0 1
S 3.628327 0.022472 0.010704
O -0.756670 -2.378062 -0.783064
O -2.981503 1.675079 -0.575741
N -1.172624 0.847431 0.672101
N -2.069649 -0.469354 -0.954922
C -0.318900 -0.381346 0.676817
C 1.091289 -0.065727 0.254030
C -1.012859 -1.260755 -0.428800
C -0.424409 -1.091977 2.021237
C -2.174762 0.817087 -0.313055
C 1.371978 0.839547 -0.845374
C 2.221573 -0.589408 0.814942
C 2.700430 0.991192 -1.092716
H -0.929113 1.669071 1.206094
H 0.091986 -0.537602 2.815426
H -1.470284 -1.208129 2.340638
H 0.012688 -2.100337 1.973462
H -2.711418 -0.770727 -1.683140
H 0.580268 1.329858 -1.398169
H 2.304860 -1.290167 1.629106
H 3.175492 1.598455 -1.844977


%chk=000268924-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000268924

0 1
S 3.729029 -0.048829 -0.005471
O -0.739938 -2.426809 -0.723307
O -3.081567 1.666250 -0.580692
N -1.190620 0.853675 0.622080
N -2.097553 -0.489665 -0.924010
C -0.340668 -0.359095 0.670171
C 1.093679 -0.046186 0.239619
C -1.047756 -1.255720 -0.413364
C -0.426563 -1.082536 2.034211
C -2.217912 0.800346 -0.308180
C 1.403588 0.881074 -0.833002
C 2.229215 -0.627390 0.783558
C 2.755786 1.000380 -1.089255
H -1.025671 1.683114 1.189370
H 0.089994 -0.500868 2.817472
H -1.481917 -1.214033 2.326830
H 0.037268 -2.080649 1.958661
H -2.748230 -0.804968 -1.643905
H 0.642665 1.443042 -1.380434
H 2.309841 -1.364163 1.579837
H 3.264030 1.619631 -1.825589


