%chk=000190272.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190272

0 1
S 0.354550 0.437601 -1.419702
P -1.036346 -1.066118 -0.989003
O -0.757218 -1.394784 0.591754
O -2.363129 -0.121904 -0.903519
O -1.038259 -2.197713 -1.934882
O -1.040997 2.429284 1.085682
O 3.885257 0.217424 -0.941050
O 0.295481 3.493849 -0.408107
O 2.681587 -1.078475 0.476934
C 0.717700 1.161232 0.227372
C 0.059503 -2.581891 0.925822
C -3.658465 -0.797248 -0.712677
C 2.227388 1.323046 0.275220
C 0.013949 2.500641 0.215401
C -0.791081 -3.830764 0.758011
C 0.444865 -2.286152 2.368256
C -4.626967 0.155601 -1.398790
C -3.893358 -0.928174 0.785261
C 2.902116 0.004816 -0.015038
C -1.931343 3.588403 1.187036
C 4.676261 -0.931024 -1.392764
C -1.278047 4.672996 2.016697
C 5.702630 -1.296919 -0.342313
H 0.347821 0.510524 1.072151
H 0.960056 -2.594108 0.265090
H -3.645661 -1.789738 -1.221189
H 2.573038 2.105750 -0.449361
H 2.557352 1.689192 1.273645
H -1.755685 -3.739322 1.270315
H -0.283616 -4.712876 1.165597
H -1.000144 -4.048775 -0.302750
H -0.387590 -1.815581 2.908737
H 0.729819 -3.193357 2.909884
H 1.298266 -1.592387 2.402895
H -4.521624 1.175223 -1.003272
H -5.667220 -0.156880 -1.266309
H -4.419717 0.218425 -2.475694
H -3.759412 0.039785 1.289065
H -4.903487 -1.286223 1.006580
H -3.178590 -1.616217 1.259380
H -2.807979 3.126848 1.677492
H -2.183131 3.923964 0.165156
H 5.120850 -0.518659 -2.317583
H 3.984456 -1.760284 -1.625000
H -0.916169 4.286074 2.977487
H -0.412337 5.106200 1.492052
H -1.976215 5.491823 2.227259
H 6.293247 -0.425394 -0.032323
H 5.221417 -1.703630 0.559875
H 6.400481 -2.057403 -0.713178


%chk=000190272-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000190272

0 1
S 0.225526 0.468926 -1.859137
P -1.336299 -1.043299 -1.116258
O -0.918308 -1.457115 0.517892
O -2.685453 -0.006684 -0.853579
O -1.547887 -2.263711 -2.118407
O -0.989043 2.339591 0.775747
O 4.317515 0.157767 -1.034652
O 0.568711 3.644323 -0.379136
O 2.752830 -0.999850 0.249693
C 0.868980 1.199620 -0.197482
C -0.023994 -2.655545 0.796022
C -3.996830 -0.616784 -0.400865
C 2.390197 1.378578 -0.317800
C 0.168121 2.531048 0.037927
C -0.812409 -3.954629 0.586137
C 0.447287 -2.438235 2.234671
C -5.073303 0.147384 -1.175684
C -4.097713 -0.472026 1.122369
C 3.129103 0.049726 -0.325659
C -1.864075 3.536873 0.978865
C 5.197423 -1.055670 -1.072058
C -1.436588 4.317512 2.224495
C 6.115910 -1.093200 0.151899
H 0.591326 0.467695 0.577800
H 0.837234 -2.592365 0.104641
H -4.000072 -1.685980 -0.694928
H 2.661066 1.972032 -1.205329
H 2.749115 1.957725 0.557826
H -1.695457 -3.982861 1.250167
H -0.168340 -4.819840 0.831143
H -1.144778 -4.051737 -0.461045
H -0.414574 -2.400346 2.924226
H 1.105364 -3.273456 2.537152
H 1.022485 -1.502249 2.314922
H -5.001394 1.227774 -0.958538
H -6.078045 -0.204535 -0.876567
H -4.953259 0.000347 -2.261769
H -4.079386 0.595387 1.405684
H -5.044603 -0.915612 1.483770
H -3.251274 -0.976540 1.617259
H -2.869597 3.099164 1.083311
H -1.812760 4.163536 0.071296
H 5.759848 -0.933501 -2.010885
H 4.554209 -1.951171 -1.125172
H -1.427822 3.665294 3.114841
H -0.433044 4.753802 2.087877
H -2.149569 5.142746 2.407747
H 6.708515 -0.165397 0.228485
H 5.532252 -1.224165 1.078623
H 6.817162 -1.943646 0.064066


