%chk=000245503.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245503

0 1
S -0.055021 1.648617 0.000096
O -3.515209 -0.224366 -0.000078
O 3.468630 -0.128118 0.000538
O -1.353763 -2.024542 0.000335
O 1.495603 -1.927939 0.000543
O -3.012597 1.980129 -0.000111
O 3.078919 2.101460 0.000277
C -1.249496 0.382445 0.000121
C 1.257746 0.518912 0.000297
C -0.669274 -0.861580 0.000278
C 0.795277 -0.775051 0.000381
C -2.638270 0.825198 -0.000020
C 2.629721 0.983721 0.000358
C -4.947921 0.127111 -0.000248
C 4.918340 0.115662 0.000633
C -5.638281 -1.218647 -0.000064
C 5.520844 -1.271283 0.000739
H -5.144624 0.728440 -0.904370
H -5.144780 0.728768 0.903623
H 5.153264 0.703503 0.905316
H 5.153402 0.703426 -0.904064
H -6.728706 -1.106482 -0.000217
H -5.355507 -1.813484 -0.880255
H -5.355717 -1.813139 0.880427
H 6.618423 -1.221680 0.000822
H 5.217755 -1.847369 0.885552
H 5.217892 -1.847444 -0.884072
H -0.723468 -2.808404 0.000457
H 2.505316 -1.739366 0.000606


%chk=000245503-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245503

0 1
S -0.073240 1.797941 0.000040
O -3.553018 -0.253954 -0.000071
O 3.487622 -0.199830 0.000553
O -1.301932 -2.041504 0.000319
O 1.498821 -1.896907 0.000574
O -3.086291 2.039963 -0.000230
O 3.145587 2.129995 0.000302
C -1.283823 0.442567 0.000058
C 1.262872 0.583248 0.000291
C -0.669301 -0.812160 0.000250
C 0.769981 -0.723204 0.000379
C -2.695146 0.841021 -0.000123
C 2.660792 0.977575 0.000383
C -5.013305 0.075460 -0.000196
C 4.965019 0.041323 0.000648
C -5.756691 -1.255468 -0.000071
C 5.648874 -1.321934 0.000755
H -5.230306 0.686594 -0.895140
H -5.230410 0.686825 0.894564
H 5.209219 0.638926 0.896354
H 5.209348 0.638850 -0.895072
H -6.847088 -1.073955 -0.000174
H -5.500300 -1.848646 -0.894065
H -5.500429 -1.848409 0.894117
H 6.744814 -1.181146 0.000826
H 5.380795 -1.905355 0.898713
H 5.380920 -1.905430 -0.897191
H -0.602413 -2.751052 0.000462
H 2.477527 -1.642835 0.000647


