%chk=000295501.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295501

0 1
S 2.991629 1.738388 -0.599926
O 0.630534 -0.038704 -1.272409
O -1.976854 -0.534171 0.813213
O -1.557018 0.739757 -1.064282
O 0.973481 -2.435398 1.001902
C -0.956665 -1.232169 0.094920
C 0.381949 -1.140544 0.867894
C -0.734125 -0.421142 -1.210121
C 1.355760 -0.354282 -0.050065
C -2.205399 0.789044 0.227519
C 1.840151 0.949409 0.554002
C -1.567143 1.851540 1.097890
C -3.696205 0.929704 0.002060
C 4.583848 1.045720 -0.102346
H -1.322080 -2.266203 -0.034458
H 0.234889 -0.686888 1.869266
H -0.976405 -0.843949 -2.199124
H 2.187838 -1.014897 -0.395024
H 2.295785 0.803338 1.548267
H 0.986312 1.662703 0.682199
H -1.978357 2.846545 0.884976
H -1.721658 1.638226 2.162166
H -0.479105 1.917685 0.912587
H -4.122950 -0.000252 -0.399622
H -4.229831 1.160554 0.931052
H -3.905460 1.724359 -0.727542
H 0.504365 -2.957339 1.686902
H 4.862618 1.337759 0.914611
H 5.343678 1.441942 -0.790697
H 4.600518 -0.046432 -0.176709


%chk=000295501-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000295501

0 1
S 3.689725 1.786961 -0.402822
O 0.437777 0.882481 -0.850228
O -2.053867 -0.646206 0.751863
O -1.951484 0.677279 -1.190988
O 1.219441 -1.906514 1.328738
C -0.791746 -0.994775 0.082246
C 0.474098 -0.712046 0.937609
C -0.700201 -0.024275 -1.142965
C 1.384155 0.110703 -0.009200
C -2.564307 0.633625 0.169574
C 2.329316 1.076487 0.698414
C -2.118080 1.840390 1.007401
C -4.073897 0.511422 0.001600
C 4.911731 0.356357 -0.301007
H -0.841181 -2.058858 -0.205301
H 0.172706 -0.112509 1.820833
H -0.552132 -0.491321 -2.130821
H 1.952855 -0.609880 -0.635391
H 2.819981 0.563622 1.544357
H 1.766409 1.946125 1.078661
H -2.527386 2.767397 0.570453
H -2.492085 1.738293 2.041007
H -1.019831 1.926479 1.014514
H -4.312494 -0.374621 -0.607413
H -4.555838 0.410531 0.988842
H -4.472494 1.410452 -0.497960
H 0.731226 -2.381348 2.047039
H 5.231103 0.197388 0.741828
H 5.780241 0.647411 -0.912530
H 4.470358 -0.566745 -0.709252


