%chk=000298568.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298568

0 1
S -2.558036 0.126540 0.139184
O -0.099685 0.126172 -1.738647
O -2.607545 -0.343690 -1.247995
O -2.780067 -0.826344 1.215989
C -0.952293 0.832888 0.409123
C 0.143592 0.003027 -0.331968
C -0.891576 2.280326 -0.090597
C -3.807864 1.351889 0.347946
C -2.044070 3.155866 0.400002
C -3.384934 2.710013 -0.190105
C 0.197921 -1.475560 0.040411
C 1.522881 0.621633 -0.100571
C -0.172473 -1.964216 1.298321
C 2.219123 1.209626 -1.164907
C 0.704381 -2.364191 -0.923037
C 2.098408 0.594429 1.178046
C -0.046081 -3.328060 1.586309
C 3.478983 1.775153 -0.949575
C 0.829256 -3.723822 -0.633992
C 3.357470 1.162495 1.388924
C 0.454238 -4.208570 0.623999
C 4.048689 1.755445 0.327072
H -0.717161 0.819438 1.502506
H -0.848139 2.281349 -1.205501
H 0.074554 2.730852 0.226886
H -4.103404 1.431550 1.416161
H -4.746536 1.025357 -0.152657
H -1.846494 4.209086 0.111359
H -2.088191 3.164017 1.506388
H -4.167532 3.461649 0.043061
H -3.326614 2.684362 -1.299826
H -0.962270 -0.338103 -2.007507
H -0.594478 -1.305053 2.058100
H 1.771050 1.214681 -2.162747
H 0.999119 -1.979636 -1.902618
H 1.576036 0.117327 2.005649
H -0.352024 -3.701317 2.562143
H 4.017736 2.228086 -1.780020
H 1.217070 -4.406001 -1.387923
H 3.803408 1.137342 2.381495
H 0.548017 -5.269032 0.849790
H 5.029934 2.195199 0.493629


%chk=000298568-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000298568

0 1
S -2.676027 0.033302 0.067721
O -0.065907 0.095323 -1.830562
O -2.724207 -0.298116 -1.559926
O -3.055953 -1.118092 1.161308
C -0.859810 0.847312 0.374637
C 0.193065 -0.028684 -0.395459
C -0.893261 2.309524 -0.102866
C -3.943669 1.463909 0.370821
C -2.058462 3.191785 0.403634
C -3.430382 2.789323 -0.187594
C 0.221179 -1.517735 0.026109
C 1.580195 0.611287 -0.129742
C -0.096243 -1.971974 1.329825
C 2.266252 1.275812 -1.173742
C 0.668633 -2.459844 -0.934960
C 2.165632 0.552032 1.159991
C 0.030006 -3.338609 1.663814
C 3.525330 1.870363 -0.930648
C 0.795826 -3.824218 -0.601619
C 3.418144 1.156314 1.403644
C 0.478868 -4.270229 0.702613
C 4.103557 1.818917 0.358485
H -0.783216 0.754074 1.471256
H -0.867709 2.313936 -1.208169
H 0.064004 2.756609 0.229325
H -4.059570 1.453430 1.467023
H -4.848822 1.075194 -0.123623
H -1.838470 4.236350 0.115033
H -2.107147 3.175217 1.512190
H -4.188601 3.563152 0.045930
H -3.364473 2.730273 -1.290808
H -1.026308 -0.200172 -1.985757
H -0.474198 -1.287037 2.095714
H 1.805300 1.301496 -2.164401
H 0.906831 -2.105518 -1.942373
H 1.665763 0.007758 1.969299
H -0.239807 -3.674474 2.671067
H 4.054435 2.373024 -1.748355
H 1.139137 -4.538885 -1.358136
H 3.863889 1.099590 2.403164
H 0.571295 -5.330736 0.962618
H 5.079300 2.281219 0.545820


