%chk=000229684.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229684

0 1
S -4.492140 -0.697105 -0.122830
S 4.492189 0.696929 -0.129164
O -3.018414 0.131620 -0.149701
O 3.018442 -0.131895 -0.151713
O -4.524049 -1.427546 1.119251
O -4.577840 -1.422875 -1.363326
O 4.524361 1.433265 1.109433
O 4.577632 1.416795 -1.373105
C -7.019395 0.309505 -0.158946
C 7.019461 -0.309918 -0.159908
C -5.526499 0.702155 -0.111234
C 5.526520 -0.702287 -0.111217
C -0.679518 0.350025 -0.147958
C 0.679551 -0.350285 -0.146316
C -1.817766 -0.671253 -0.143970
C 1.817799 0.670998 -0.148525
C -7.870655 1.540878 -0.492551
C -7.467333 -0.310119 1.166792
C 7.870793 -1.542731 -0.487987
C 7.466866 0.315228 1.163415
H -7.165860 -0.442531 -0.979575
H 7.166333 0.438660 -0.983616
H -5.341943 1.341984 0.779540
H -5.292898 1.377503 -0.964016
H 5.341527 -1.338375 0.782142
H 5.293283 -1.381196 -0.961269
H -0.784596 1.011491 -1.032338
H -0.783603 1.017544 0.731915
H 0.784016 -1.012921 0.737188
H 0.784246 -1.016638 -1.027071
H -1.817511 -1.298038 0.768103
H -1.816548 -1.306181 -1.050232
H 1.815616 1.301506 -1.057864
H 1.818510 1.302217 0.760486
H -7.749639 2.337188 0.250141
H -7.614753 1.959100 -1.472208
H -8.937051 1.284904 -0.518754
H -7.440498 0.412407 1.990336
H -6.835237 -1.157906 1.474689
H -8.494312 -0.687398 1.101022
H 7.749338 -2.335953 0.257930
H 7.615355 -1.964980 -1.466037
H 8.937225 -1.286956 -0.514705
H 7.439567 -0.403814 1.989984
H 6.834713 1.164382 1.467436
H 8.493914 0.692116 1.096533


%chk=000229684-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229684

0 1
S -4.644024 -0.812654 -0.165833
S 4.643445 0.811828 -0.169558
O -3.077359 0.187443 -0.456219
O 3.077064 -0.190056 -0.455339
O -4.425569 -1.726563 1.158618
O -5.122927 -1.527418 -1.538562
O 4.425091 1.730958 1.151286
O 5.121420 1.521336 -1.545339
C -7.206438 0.451284 -0.083396
C 7.206277 -0.450995 -0.084093
C -5.727768 0.751971 0.186688
C 5.727999 -0.750870 0.189002
C -0.681817 0.367157 -0.410886
C 0.681466 -0.369847 -0.409154
C -1.845642 -0.634944 -0.410325
C 1.845213 0.632336 -0.413297
C -7.982075 1.793995 -0.008928
C -7.785978 -0.590836 0.899919
C 7.982515 -1.793023 -0.003752
C 7.786454 0.596255 0.893372
H -7.292773 0.057572 -1.115535
H 7.291408 -0.062418 -1.118277
H -5.488398 0.978144 1.238674
H -5.287568 1.496908 -0.495586
H 5.489839 -0.972174 1.242297
H 5.287287 -1.499101 -0.489322
H -0.763968 1.012949 -1.305482
H -0.767258 1.020809 0.477590
H 0.766946 -1.019275 0.482410
H 0.763617 -1.019861 -1.300686
H -1.841602 -1.252423 0.509593
H -1.801493 -1.293736 -1.299433
H 1.801011 1.286973 -1.305467
H 1.841060 1.254094 0.503733
H -7.912474 2.241851 1.000197
H -7.604142 2.529846 -0.742132
H -9.050785 1.616864 -0.224964
H -7.693306 -0.242232 1.945847
H -7.272485 -1.565604 0.820944
H -8.857005 -0.756298 0.687997
H 7.914186 -2.235892 1.007661
H 7.604091 -2.532664 -0.732878
H 9.050923 -1.616549 -0.221818
H 7.694644 0.253078 1.941167
H 7.272803 1.570547 0.809712
H 8.857294 0.760735 0.679754


