%chk=000199077.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000199077

0 1
S 2.976095 -0.726950 -0.188170
O 2.609180 0.455278 0.955630
O 1.977349 -0.109627 -1.412281
O 2.396761 -1.985600 0.226370
C 0.355959 1.031884 0.132396
C -0.119784 2.489401 0.390345
C 1.232805 0.569904 1.332930
C 1.217878 1.072720 -1.155402
C -0.825422 0.075237 0.028937
C -1.007522 3.050811 -0.715314
C -1.932176 0.238699 0.880347
C -0.818094 -1.001862 -0.868911
C -3.015291 -0.640298 0.817037
C -1.903230 -1.881333 -0.930969
C -3.006508 -1.702366 -0.092592
H 0.765116 3.143051 0.528151
H -0.669470 2.527855 1.353717
H 1.266247 1.311641 2.152393
H 0.893931 -0.401098 1.746900
H 0.584675 1.148527 -2.062662
H 1.926666 1.922400 -1.122050
H -0.455365 3.222969 -1.645297
H -1.839164 2.371899 -0.949576
H -1.446185 4.010557 -0.417363
H -1.952994 1.058390 1.597623
H 0.046260 -1.178456 -1.516648
H -3.866728 -0.499300 1.480080
H -1.880757 -2.714118 -1.632517
H -3.849532 -2.387717 -0.142205


%chk=000199077-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000199077

0 1
S 3.504466 -0.101532 -0.205343
O 2.580123 0.886024 1.095184
O 2.011377 -0.204543 -1.371423
O 3.606409 -1.629028 0.268024
C 0.276102 0.957887 0.100437
C -0.046824 2.441708 0.456318
C 1.192487 0.362931 1.221731
C 1.104166 0.963011 -1.226507
C -0.971684 0.053863 0.009177
C -0.862021 3.210595 -0.607511
C -2.159318 0.339924 0.733064
C -0.926676 -1.150118 -0.748495
C -3.268776 -0.534884 0.692044
C -2.034564 -2.023541 -0.792890
C -3.213261 -1.720956 -0.072962
H 0.918989 2.956449 0.631569
H -0.582066 2.477532 1.425089
H 0.866631 0.686388 2.225568
H 1.205281 -0.743072 1.187084
H 0.453154 0.887177 -2.114318
H 1.693224 1.897744 -1.299088
H -0.316944 3.293032 -1.565872
H -1.828379 2.716528 -0.811659
H -1.072727 4.239205 -0.262868
H -2.233057 1.252600 1.333565
H -0.013176 -1.410962 -1.294892
H -4.174787 -0.288265 1.257329
H -1.974507 -2.943755 -1.385000
H -4.072943 -2.399441 -0.106458


