%chk=000112692.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000112692

0 1
S -2.209682 -0.821722 0.113201
O -0.501773 -1.326020 0.089604
O -2.622888 -1.279930 1.405056
O -2.705634 -1.446572 -1.075537
C 2.999363 -0.286440 -0.353477
C 2.856902 1.092055 0.318673
C 1.824197 -1.189414 0.072989
C 1.564258 1.789576 -0.127267
C 0.352902 0.895751 -0.039037
C 0.515144 -0.464260 0.031423
C 4.334580 -0.942297 0.002733
C -0.936821 1.523287 -0.061062
C -2.113490 0.860498 -0.002082
C -3.436655 1.546639 -0.029522
H 2.952026 -0.149311 -1.462999
H 3.728622 1.726920 0.075060
H 2.863847 0.977966 1.419782
H 1.979284 -1.579177 1.104290
H 1.773863 -2.098647 -0.564565
H 1.671224 2.143498 -1.174666
H 1.410974 2.697089 0.491620
H 4.455600 -1.071176 1.084390
H 4.430544 -1.933178 -0.456317
H 5.180215 -0.339807 -0.348720
H -0.943281 2.620254 -0.132164
H -4.015994 1.360281 0.889395
H -4.047411 1.228682 -0.890261
H -3.332716 2.638956 -0.112241


%chk=000112692-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000112692

0 1
S -2.361998 -0.899451 0.192279
O -0.456445 -1.452329 0.067382
O -2.841570 -1.292616 1.683702
O -3.087537 -1.613709 -1.060005
C 3.068527 -0.269040 -0.356307
C 2.907613 1.092409 0.359906
C 1.911891 -1.207968 0.068512
C 1.592800 1.789856 -0.048669
C 0.382369 0.854919 -0.011282
C 0.558596 -0.517144 0.041194
C 4.434099 -0.923466 -0.061101
C -0.926672 1.473932 -0.079737
C -2.192482 0.947938 -0.036759
C -3.527243 1.639387 -0.120173
H 2.988297 -0.093652 -1.449644
H 3.766001 1.749619 0.123273
H 2.919675 0.923348 1.456198
H 2.088425 -1.584751 1.097364
H 1.861972 -2.100132 -0.583619
H 1.700971 2.207737 -1.071800
H 1.407659 2.653216 0.620766
H 4.567834 -1.080865 1.026655
H 4.528345 -1.906383 -0.559090
H 5.263343 -0.283227 -0.414776
H -0.915928 2.571225 -0.186127
H -4.131276 1.484513 0.793398
H -4.121204 1.285602 -0.983292
H -3.358867 2.724535 -0.239950


