%chk=000268558.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268558

0 1
S 1.857010 2.234782 0.372084
O -3.175856 2.426697 0.189090
O -4.881442 1.129965 -0.543838
C -0.272253 -1.740323 0.080634
C -0.935687 -3.084569 -0.044889
C -1.079788 -0.597034 0.320742
C -2.320399 -2.966559 -0.696751
C -2.539438 -0.772727 0.444219
C -3.142441 -1.874265 -0.064815
C 1.716702 -0.372470 0.078941
C 1.117503 -1.631021 -0.029974
C -0.481622 0.671076 0.404514
C 0.896934 0.760536 0.287801
C -3.317435 0.298183 1.158529
C 3.137061 -0.030091 -0.005741
C -4.619375 -2.074273 -0.064331
C 3.366771 1.360546 0.136788
C 4.227999 -0.883011 -0.201334
C -3.913600 1.263191 0.166903
C 4.640695 1.909630 0.088949
C 5.515255 -0.338568 -0.250789
C 5.721191 1.041079 -0.107605
C -3.560759 3.476876 -0.737693
H -0.309170 -3.787939 -0.627577
H -1.031387 -3.531273 0.968963
H -2.842388 -3.941738 -0.636654
H -2.214012 -2.747174 -1.782252
H 1.730361 -2.512640 -0.203701
H -1.090622 1.569247 0.542022
H -2.671788 0.833811 1.892183
H -4.138085 -0.147057 1.765091
H -5.149825 -1.162252 -0.402157
H -4.994357 -2.312332 0.940806
H -4.943294 -2.883234 -0.730745
H 4.076138 -1.954135 -0.313154
H 4.800604 2.980246 0.200122
H 6.370910 -0.995020 -0.402725
H 6.732856 1.442011 -0.149664
H -3.074785 4.363934 -0.318655
H -4.650615 3.581439 -0.768341
H -3.165567 3.224057 -1.726397


%chk=000268558-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000268558

0 1
S 1.868241 2.308403 0.436356
O -3.202234 2.574006 0.215927
O -4.796126 1.177110 -0.745990
C -0.261980 -1.783837 0.102944
C -0.937447 -3.143400 0.046405
C -1.090375 -0.631431 0.342898
C -2.316325 -3.044776 -0.634678
C -2.564761 -0.801425 0.460275
C -3.172186 -1.937786 -0.024394
C 1.750276 -0.375713 0.084833
C 1.129511 -1.646775 -0.024369
C -0.478332 0.646051 0.455256
C 0.916508 0.753844 0.327186
C -3.373256 0.332616 1.102252
C 3.166285 -0.029363 -0.015036
C -4.665417 -2.180619 -0.063881
C 3.405860 1.370561 0.150810
C 4.276405 -0.882389 -0.245445
C -3.885254 1.357759 0.092539
C 4.700324 1.921355 0.093160
C 5.576727 -0.343496 -0.305249
C 5.789346 1.050882 -0.136997
C -3.607522 3.640794 -0.734329
H -0.295216 -3.877852 -0.473293
H -1.083580 -3.517962 1.082202
H -2.850140 -4.011169 -0.557082
H -2.191891 -2.843825 -1.721237
H 1.742769 -2.538021 -0.204634
H -1.087940 1.540148 0.613989
H -2.771288 0.851253 1.864942
H -4.261611 -0.086358 1.604279
H -5.266479 -1.285249 0.153566
H -4.952086 -2.992058 0.636167
H -4.958424 -2.524370 -1.075472
H 4.120714 -1.959232 -0.376089
H 4.864944 2.995815 0.222745
H 6.432007 -1.004304 -0.482989
H 6.805193 1.457853 -0.185659
H -2.956182 4.492572 -0.494725
H -4.670035 3.896025 -0.585829
H -3.457025 3.301966 -1.772757


