%chk=000201358.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201358

0 1
S 2.111038 2.275713 -1.561958
S -3.209150 -0.540400 -1.692653
P -1.691590 -0.130178 -0.618544
O 2.560928 1.291604 0.864892
O -1.010092 1.353163 -0.809116
O -0.370359 -1.087512 -0.784420
O -1.883745 -0.130395 1.007328
C 2.032408 -0.069581 0.983134
C 3.310613 -0.902021 1.166367
C 1.101666 -0.122958 2.189171
C 3.782874 -1.512638 -0.148383
C 1.735652 2.239024 0.239689
C 0.887330 1.184396 -2.333260
C -0.522739 1.704533 -2.136920
C -0.568770 -2.538899 -0.720832
C -3.128364 0.453158 1.524566
C 0.662503 -3.091061 -1.410480
C -2.953558 0.334561 3.025821
H 1.493522 -0.331135 0.044919
H 3.152561 -1.692345 1.922771
H 4.103461 -0.239314 1.579924
H 1.590895 0.269134 3.087770
H 0.192654 0.473049 2.025925
H 0.770052 -1.145681 2.395060
H 4.690952 -2.108202 -0.008536
H 3.014107 -2.167331 -0.591244
H 4.013665 -0.728351 -0.883312
H 2.083231 3.209529 0.645555
H 0.658573 2.079770 0.421662
H 1.146603 1.142933 -3.411818
H 1.012600 0.145849 -1.950094
H -0.574284 2.815453 -2.089778
H -1.219624 1.355313 -2.925205
H -1.501396 -2.839266 -1.237027
H -0.608114 -2.807394 0.352691
H -3.201612 1.506652 1.194938
H -3.989915 -0.137562 1.155281
H 0.718074 -4.181905 -1.317986
H 0.673429 -2.839888 -2.479175
H 1.591074 -2.667050 -0.975415
H -3.831432 0.714110 3.561934
H -2.796374 -0.710822 3.326633
H -2.073644 0.894946 3.371927


%chk=000201358-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201358

0 1
S 2.007914 2.203497 -1.070693
S -3.713610 -0.235541 -2.119797
P -2.313259 -0.044745 -0.606587
O 2.930456 0.769736 1.183275
O -1.202790 1.271972 -0.715219
O -1.223454 -1.364402 -0.367269
O -2.875612 0.172371 1.003791
C 3.355771 -0.480852 0.493304
C 4.822186 -0.698351 0.904971
C 2.438274 -1.653366 0.882969
C 5.769533 0.396803 0.373905
C 1.749635 1.396293 0.666302
C 0.817184 1.203611 -2.148994
C -0.639483 1.653588 -2.043377
C -1.813000 -2.741747 -0.294091
C -3.937342 1.197196 1.257724
C -0.665381 -3.727378 -0.484809
C -4.350766 1.023970 2.715170
H 3.304130 -0.291612 -0.601647
H 5.141791 -1.693660 0.536392
H 4.865835 -0.735052 2.011315
H 2.500889 -1.840987 1.970185
H 1.382553 -1.458630 0.621839
H 2.752745 -2.571368 0.351272
H 6.804948 0.232517 0.724249
H 5.781753 0.411736 -0.732207
H 5.435764 1.389494 0.720629
H 1.518619 2.222536 1.352787
H 0.883410 0.721248 0.556966
H 1.174044 1.372278 -3.181418
H 0.914997 0.130259 -1.912658
H -0.720558 2.752022 -2.083342
H -1.263640 1.207980 -2.845818
H -2.578146 -2.841222 -1.088737
H -2.293565 -2.851908 0.695125
H -3.506481 2.197364 1.066430
H -4.778881 1.019618 0.560691
H -1.056395 -4.760521 -0.434615
H -0.183575 -3.583835 -1.466895
H 0.095725 -3.606437 0.303885
H -5.127943 1.767402 2.971753
H -4.760203 0.014595 2.889109
H -3.488367 1.174527 3.385936


