%chk=000229594.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229594

0 1
S 1.927147 0.966717 0.847166
S -1.929889 0.965360 -0.849476
O 1.652980 2.542788 0.296335
O -1.655915 2.542296 -0.301042
O 0.681303 0.553563 1.471951
O 3.119403 1.009349 1.644403
O -0.683972 0.551380 -1.473592
O -3.122125 1.006651 -1.646808
C -0.001472 4.264913 -0.003679
C 0.734105 3.374884 1.031707
C -0.737151 3.373378 -1.037696
C -1.015203 5.135824 0.749910
C 1.012360 5.134549 -0.758603
C 2.195985 0.220363 -0.697497
C -2.198639 0.221303 0.696295
C 2.363436 -1.260155 -0.564495
C -2.366727 -1.259333 0.565476
C 1.346831 -2.115022 -1.017005
C -1.350726 -2.113991 1.019737
C 3.533817 -1.795203 -0.003388
C -3.537115 -1.794689 0.004673
C 1.504989 -3.499141 -0.912033
C -1.509508 -3.498196 0.916839
C 3.682755 -3.180401 0.097899
C -3.686676 -3.179969 -0.094539
C 2.671871 -4.034015 -0.357098
C -2.676406 -4.033367 0.362225
H 1.346689 3.976570 1.726460
H 0.010971 2.752738 1.594515
H -1.349853 3.974046 -1.733230
H -0.014054 2.750460 -1.599703
H -0.552716 5.698653 1.566117
H -1.822238 4.520054 1.171560
H -1.489685 5.863358 0.081423
H 1.819375 4.518045 -1.179214
H 0.549953 5.696103 -1.575730
H 1.486853 5.863113 -0.091246
H 3.064689 0.660322 -1.236710
H 1.331980 0.440679 -1.399729
H -3.067014 0.662378 1.235139
H -1.334381 0.442308 1.398020
H 0.432659 -1.692928 -1.446788
H -0.436525 -1.691693 1.449231
H 4.321604 -1.134969 0.362776
H -4.324418 -1.134636 -0.362880
H 0.714130 -4.160212 -1.264969
H -0.719127 -4.159104 1.271146
H 4.590529 -3.595280 0.534274
H -4.594459 -3.595083 -0.530675
H 2.794184 -5.112421 -0.278902
H -2.799205 -5.111833 0.285648


%chk=000229594-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229594

0 1
S 1.956404 0.933758 1.089124
S -1.961174 0.933316 -1.091314
O 1.751898 2.696537 0.428584
O -1.755717 2.696841 -0.432962
O 0.505986 0.432580 1.641508
O 3.212867 0.863886 2.103103
O -0.511188 0.431067 -1.643873
O -3.218215 0.862602 -2.104524
C -0.001484 4.367709 -0.003618
C 0.678535 3.482108 1.073494
C -0.682407 3.481195 -1.079417
C -1.055241 5.253673 0.710001
C 1.053200 5.251486 -0.718571
C 2.448190 0.155134 -0.717946
C -2.452128 0.156953 0.716911
C 2.646470 -1.308868 -0.621040
C -2.649938 -1.307250 0.622027
C 1.589524 -2.183343 -1.000987
C -1.592481 -2.180862 1.002528
C 3.881013 -1.852245 -0.166980
C -3.884549 -1.851654 0.169374
C 1.775142 -3.580338 -0.942103
C -1.777646 -3.577996 0.945578
C 4.058343 -3.248939 -0.105626
C -4.061426 -3.248488 0.109942
C 3.007339 -4.114862 -0.495746
C -3.009902 -4.113535 0.500609
H 1.126321 4.114305 1.863689
H -0.070917 2.798845 1.520279
H -1.130246 4.112646 -1.870183
H 0.066515 2.797035 -1.525705
H -0.582494 5.874713 1.493249
H -1.846216 4.637382 1.171732
H -1.536202 5.933588 -0.017353
H 1.843452 4.633659 -1.179506
H 0.581082 5.871925 -1.502675
H 1.534973 5.931893 0.007778
H 3.348381 0.761210 -0.897664
H 1.570869 0.478277 -1.297729
H -3.352478 0.762941 0.896136
H -1.574732 0.481168 1.295974
H 0.641796 -1.755142 -1.348422
H -0.644711 -1.751870 1.348865
H 4.688021 -1.178550 0.143270
H -4.691985 -1.178654 -0.141275
H 0.963233 -4.249334 -1.247691
H -0.965333 -4.246308 1.251593
H 5.009108 -3.664784 0.244490
H -5.012244 -3.665119 -0.239091
H 3.150056 -5.200504 -0.452305
H -3.152263 -5.199282 0.458666


