%chk=000271689.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271689

0 1
S -0.365653 -1.165416 -0.174862
O -1.419632 2.035499 0.086839
C -2.307778 -1.031098 1.736494
C -1.298054 -0.145228 1.017493
C -3.472230 -1.461700 0.836086
C -4.160507 -0.245516 0.205592
C -3.175870 0.585013 -0.620728
C -1.930565 0.937641 0.156308
C 1.286883 -0.555493 -0.086218
C 2.324622 -1.499936 -0.112468
C 1.543097 0.814779 -0.053428
C 2.867561 1.274000 -0.032990
C 3.648738 -1.026323 -0.100927
C 3.918449 0.340739 -0.057722
C 2.054193 -2.966519 -0.160826
C 3.165462 2.737060 0.006014
H -2.704081 -0.478718 2.615454
H -1.801776 -1.926320 2.154246
H -0.599886 0.317966 1.757601
H -4.203220 -2.047167 1.425701
H -3.109525 -2.145746 0.042835
H -4.613651 0.386377 0.995038
H -4.999401 -0.574667 -0.437856
H -3.659704 1.512788 -0.990255
H -2.870977 0.028998 -1.535228
H 0.721747 1.540841 -0.050333
H 4.473840 -1.736395 -0.123551
H 4.950154 0.687830 -0.045487
H 2.964624 -3.567752 -0.041869
H 1.357644 -3.278464 0.633174
H 1.599767 -3.257820 -1.120018
H 3.695392 3.058990 -0.901814
H 2.256049 3.350558 0.079085
H 3.797887 2.996698 0.866022


%chk=000271689-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000271689

0 1
S -0.361664 -1.389278 0.065957
O -1.490882 2.115605 0.035263
C -2.443220 -0.819994 1.887804
C -1.348294 -0.085457 1.077561
C -3.571793 -1.376222 0.989762
C -4.199075 -0.254451 0.130634
C -3.125170 0.464235 -0.734510
C -1.948780 0.940759 0.108746
C 1.339126 -0.657913 -0.010871
C 2.412596 -1.570358 -0.224990
C 1.566512 0.732643 0.098355
C 2.880462 1.260377 0.021897
C 3.716931 -1.023961 -0.310079
C 3.955093 0.362298 -0.188259
C 2.186417 -3.064435 -0.363168
C 3.116446 2.754218 0.170015
H -2.874765 -0.090701 2.604963
H -1.973286 -1.624115 2.483149
H -0.615268 0.406085 1.738443
H -4.346837 -1.849421 1.621549
H -3.166020 -2.169770 0.331151
H -4.690257 0.486227 0.793308
H -4.984526 -0.664965 -0.530811
H -3.543809 1.329318 -1.276194
H -2.731972 -0.252296 -1.483964
H 0.729569 1.428259 0.223514
H 4.559331 -1.706811 -0.475221
H 4.979161 0.747417 -0.261776
H 3.147368 -3.601101 -0.438095
H 1.628151 -3.468930 0.502461
H 1.593124 -3.306763 -1.266100
H 3.988025 3.086056 -0.421747
H 2.236732 3.335073 -0.157253
H 3.314173 3.023871 1.225911


