%chk=000248513.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248513

0 1
S -2.872234 -2.881104 -0.203191
O -4.057799 -2.014286 0.621810
O -0.015135 -0.098686 -1.004292
O 3.581120 2.285385 0.865861
O 1.424187 -2.440224 -0.356069
O -2.829142 -2.322808 -1.541915
O -3.180589 -4.274552 -0.040177
C -2.645411 3.275885 0.464916
C -1.565451 4.165039 -0.164605
C -3.952568 3.314817 -0.338727
C -0.302329 4.266423 0.701557
C -4.975390 2.288545 0.170012
C 0.444102 2.939537 0.886832
C -4.631907 0.862836 -0.280755
C 1.054182 2.422035 -0.426257
C -5.549969 -0.176958 0.371950
C 1.796977 1.137784 -0.207696
C -5.237036 -1.596627 -0.101095
C 1.279665 -0.065476 -0.541563
C 3.152207 1.245188 0.415787
C 3.983989 -0.006304 0.435139
C 3.430359 -1.254229 0.092185
C 1.992708 -1.370400 -0.286880
C 5.328245 0.078750 0.803818
C 4.225394 -2.403895 0.119827
C 6.125365 -1.075383 0.823976
C 5.576591 -2.311419 0.482696
C -0.266919 -0.920311 -2.182050
C -1.496860 -2.403357 0.718067
H -2.837003 3.590895 1.508046
H -2.275551 2.232445 0.529046
H -1.302859 3.777395 -1.168294
H -1.968705 5.183117 -0.331781
H -3.743907 3.136991 -1.411533
H -4.392186 4.329423 -0.284589
H -0.571122 4.665876 1.700153
H 0.381654 5.017053 0.257519
H -5.983801 2.562141 -0.195869
H -5.035908 2.334324 1.274603
H -0.238634 2.176040 1.306949
H 1.253794 3.079285 1.633468
H -4.695193 0.790881 -1.383864
H -3.577015 0.629671 -0.028916
H 1.742276 3.186102 -0.846395
H 0.248698 2.271603 -1.179580
H -6.611282 0.055017 0.159315
H -5.439095 -0.135416 1.475933
H -5.063281 -1.645526 -1.193328
H -6.029236 -2.312739 0.188788
H 5.749931 1.051343 1.078265
H 3.784823 -3.371262 -0.139361
H 7.175632 -1.001246 1.109933
H 6.194405 -3.210190 0.499644
H -1.371336 -0.883138 -2.248747
H 0.059349 -1.953397 -2.032077
H 0.205507 -0.456035 -3.048414
H -1.134804 -1.383955 0.464367
H -0.605012 -3.040801 0.556919
H -1.668987 -2.398303 1.804938


%chk=000248513-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248513

0 1
S -3.055260 -3.038766 -0.190147
O -4.269423 -2.020794 0.812086
O 0.046132 -0.105847 -1.069473
O 3.818924 2.451486 0.409920
O 1.527866 -2.443792 -0.492174
O -3.059165 -2.442064 -1.705477
O -3.297732 -4.620648 0.028857
C -2.577537 3.187092 0.415502
C -1.527944 4.229136 -0.036025
C -3.906784 3.288352 -0.368675
C -0.250965 4.259598 0.841268
C -5.000876 2.303592 0.114152
C 0.538745 2.930114 0.917807
C -4.674029 0.817051 -0.156841
C 1.112001 2.481566 -0.462755
C -5.765707 -0.139337 0.368415
C 1.907701 1.206563 -0.338458
C -5.487618 -1.618267 0.057293
C 1.373290 -0.034234 -0.649608
C 3.308443 1.309821 0.160883
C 4.114070 0.056874 0.322202
C 3.533644 -1.213023 0.050286
C 2.112611 -1.314753 -0.387899
C 5.457228 0.136082 0.755620
C 4.300665 -2.391829 0.214190
C 6.220488 -1.041172 0.913717
C 5.642027 -2.306016 0.642983
C -0.253487 -0.855641 -2.328609
C -1.532361 -2.457944 0.769036
H -2.784925 3.326022 1.498094
H -2.157091 2.168882 0.303685
H -1.259398 4.042728 -1.096097
H -1.991173 5.237239 -0.013804
H -3.710453 3.118730 -1.448395
H -4.291082 4.325778 -0.281918
H -0.538102 4.549553 1.873143
H 0.427392 5.055460 0.471086
H -5.961353 2.554428 -0.382129
H -5.164978 2.450306 1.202797
H -0.106205 2.126024 1.321573
H 1.382964 3.054913 1.621941
H -4.541603 0.662707 -1.247906
H -3.712186 0.547126 0.317450
H 1.773425 3.286122 -0.833898
H 0.284330 2.329984 -1.175006
H -6.745482 0.113178 -0.089481
H -5.885946 -0.013539 1.462246
H -5.306073 -1.752007 -1.029088
H -6.316775 -2.273657 0.380432
H 5.878915 1.124649 0.962379
H 3.828664 -3.356490 0.003066
H 7.261237 -0.977046 1.248272
H 6.235921 -3.217416 0.768016
H -1.336258 -1.046041 -2.306718
H 0.289798 -1.812450 -2.355994
H 0.022061 -0.216105 -3.186238
H -1.492196 -1.368922 0.637787
H -0.660597 -2.948065 0.311676
H -1.710273 -2.761495 1.809253


