%chk=000234624.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000234624

0 1
S -3.309443 0.681795 1.981857
O 4.650073 -1.649672 -0.227580
O 3.378363 1.351215 -1.620934
O 6.599979 0.983226 -1.214782
O 6.655034 0.043814 2.311942
O -1.522194 0.693474 -0.428158
O -3.653714 0.118235 3.274980
O -3.216973 2.110858 1.837987
N 2.454519 -0.830407 -0.246707
N 1.038566 -1.024037 1.534217
N 0.921188 0.161077 -1.933141
N -1.720440 -0.003287 1.724528
C 4.353437 0.317045 -1.543019
C 5.431710 0.626003 -0.474945
C 3.676636 -1.002694 -1.058430
C 5.649230 -0.710091 0.268996
C 5.491237 -0.604211 1.792205
C 1.227059 -0.260188 -0.641066
C 2.266377 -1.296869 1.104290
C 0.370232 -0.372488 0.481828
C -0.994172 0.141951 0.540204
C -4.305861 -0.005664 0.771238
C -5.154921 -1.073279 1.099330
C -4.299955 0.500883 -0.533501
C -5.987117 -1.118632 -1.178621
C -5.990614 -1.628444 0.134883
C -5.137593 -0.050907 -1.505433
C -6.886106 -1.720736 -2.206145
H 4.823786 0.180759 -2.546774
H 5.138534 1.461699 0.196856
H 3.479332 -1.730219 -1.886785
H 6.618429 -1.180949 -0.014124
H 5.344431 -1.597237 2.252803
H 4.659065 0.063300 2.096249
H 3.804436 2.194364 -1.908280
H 7.284297 1.355029 -0.611590
H 3.047404 -1.822820 1.630401
H 7.380249 -0.602610 2.445742
H 1.643238 0.696742 -2.414823
H -0.006158 0.610054 -1.996286
H -1.251812 -0.484010 2.515488
H -5.163994 -1.468408 2.123003
H -3.625067 1.328263 -0.799092
H -6.647316 -2.455833 0.394578
H -5.123293 0.349408 -2.517043
H -6.811799 -1.227032 -3.184382
H -6.653329 -2.784688 -2.364695
H -7.940871 -1.665181 -1.897368


%chk=000234624-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000234624

0 1
S -3.377137 0.821702 1.845823
O 4.599816 -1.731611 -0.165369
O 3.746622 1.390562 -1.904725
O 6.528473 1.389144 -0.554683
O 7.149775 -0.049027 2.039508
O -1.519731 0.859753 -0.730176
O -3.685023 0.221769 3.327071
O -3.374762 2.417093 1.580395
N 2.485419 -0.589219 -0.193279
N 0.958169 -0.776714 1.490406
N 1.108601 0.458568 -1.952492
N -1.723563 0.109886 1.497252
C 4.550422 0.272541 -1.446087
C 5.395441 0.551970 -0.197092
C 3.683165 -0.936061 -0.996002
C 5.771098 -0.880039 0.238093
C 6.045391 -0.993936 1.741181
C 1.293092 -0.036791 -0.685268
C 2.216375 -1.032889 1.132036
C 0.361214 -0.154964 0.371944
C -1.012061 0.320476 0.317092
C -4.521982 -0.028547 0.612077
C -5.263581 -1.123299 1.084611
C -4.628389 0.490246 -0.685585
C -6.311892 -1.258139 -1.144382
C -6.162508 -1.735662 0.186145
C -5.538748 -0.143249 -1.561894
C -7.283370 -1.934128 -2.095082
H 5.229108 -0.074228 -2.253894
H 4.766334 1.038361 0.577982
H 3.361879 -1.561482 -1.847703
H 6.653452 -1.219020 -0.340708
H 6.297668 -2.028665 2.038165
H 5.177816 -0.648919 2.327834
H 4.329909 2.185350 -1.996032
H 7.077825 1.492653 0.267235
H 2.962323 -1.550553 1.724043
H 8.009683 -0.534790 2.077604
H 1.903224 0.923531 -2.403875
H 0.152897 0.798255 -2.114585
H -1.242897 -0.283190 2.319629
H -5.148797 -1.464170 2.118597
H -4.011305 1.336824 -0.998261
H -6.757937 -2.591940 0.524099
H -5.644466 0.235054 -2.584746
H -7.322868 -1.419578 -3.069821
H -6.992994 -2.985449 -2.279907
H -8.307081 -1.948876 -1.677275


