%chk=000267957.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267957

0 1
S -3.243063 -1.150547 -0.193747
O 1.983180 3.151698 0.606682
O -0.006838 3.059972 -0.234295
N -0.778870 -2.071272 -0.721680
N -0.274368 -3.298108 -0.408889
N 1.014941 2.538642 0.194182
C 0.082094 -1.046909 -0.283219
C 1.205191 -1.713254 0.327160
C -2.088420 -1.944535 -1.361296
C 0.006308 0.355368 -0.347185
C 0.914748 -3.120223 0.210852
C 2.262219 -0.955766 0.868674
C 1.063929 1.057443 0.210725
C 2.189466 0.421675 0.810010
C -3.385634 0.548528 -0.845109
C -3.840055 1.371685 0.312928
C -3.117612 2.365056 0.828108
H -2.005216 -1.382696 -2.316651
H -2.494177 -2.962035 -1.600462
H -0.851803 0.869412 -0.800865
H 1.523172 -3.943374 0.552475
H 3.113495 -1.460258 1.325582
H 2.986600 1.049478 1.221181
H -2.415872 0.904649 -1.256990
H -4.121363 0.576654 -1.672920
H -4.824689 1.111607 0.711291
H -3.452942 2.966631 1.662489
H -2.140519 2.667177 0.463468


%chk=000267957-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000267957

0 1
S -3.253521 -1.154789 0.054502
O 2.229685 3.104302 0.787186
O 0.117467 3.058641 -0.069097
N -0.684077 -2.057517 -0.674360
N -0.187006 -3.351790 -0.460684
N 1.198181 2.472013 0.338467
C 0.221166 -1.089369 -0.247387
C 1.374278 -1.798146 0.245761
C -2.027041 -1.892245 -1.207815
C 0.136014 0.315083 -0.230987
C 1.048155 -3.189867 0.081404
C 2.483336 -1.068082 0.754281
C 1.253412 0.991824 0.287338
C 2.422644 0.332029 0.774040
C -3.660687 0.523660 -0.809603
C -4.189759 1.500394 0.204646
C -3.513159 2.601725 0.621073
H -2.023422 -1.225184 -2.086193
H -2.379446 -2.892486 -1.492956
H -0.731344 0.879320 -0.573955
H 1.640459 -4.068549 0.329208
H 3.369475 -1.588159 1.130458
H 3.244464 0.940245 1.158935
H -2.734921 0.899019 -1.277086
H -4.404355 0.300766 -1.592726
H -5.186825 1.285763 0.614321
H -3.948085 3.288438 1.355741
H -2.511187 2.849661 0.247987


