%chk=000298243.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298243

0 1
S -0.316163 -4.056518 0.515259
S -1.031292 -1.307824 -2.975402
O -0.398440 1.068988 1.286386
O -0.228978 -2.432297 1.094179
O -1.053976 -1.454715 -1.269811
O 2.391507 -0.049310 0.817071
O -1.755122 1.215518 -0.517285
O 0.878170 -4.217132 -0.271956
O -0.520520 -4.806108 1.719915
O 0.280930 -0.849408 -3.327847
O -1.527576 -2.607669 -3.341146
O 3.340159 0.598694 2.759327
C 0.625002 -1.518137 0.417607
C -0.235136 -0.594949 -0.480823
C 1.311054 -0.709194 1.544111
C -1.185609 0.264384 0.384236
C 0.382472 0.303601 2.222490
C -2.584327 2.231882 0.101084
C 3.387684 0.573337 1.550240
C -1.737947 -4.041468 -0.452170
C -2.208494 -0.081148 -3.262121
C -3.948602 1.715109 0.469721
C 4.410260 1.140805 0.644914
C -4.713620 2.424689 1.408031
C -4.472424 0.559138 -0.123295
C 5.488942 1.833639 1.220928
C 4.321860 0.996861 -0.748064
C -5.993778 1.978162 1.745115
C -5.751979 0.113637 0.220425
C -6.515019 0.822540 1.153063
C 6.475471 2.380833 0.399213
C 5.314087 1.547590 -1.563007
C 6.387972 2.237599 -0.990782
H 1.392228 -2.056098 -0.200921
H 0.427729 0.053279 -1.107275
H 1.766077 -1.388804 2.304388
H -1.959998 -0.298830 0.935336
H 0.950243 1.096789 2.752895
H -0.301656 -0.213473 2.923321
H -2.637171 2.988719 -0.707730
H -2.038529 2.655311 0.968159
H -2.324090 -3.108103 -0.343488
H -2.434524 -4.866572 -0.246978
H -1.538986 -4.075517 -1.548849
H -3.203024 -0.465183 -3.536646
H -1.929223 0.627063 -4.059531
H -2.380389 0.570551 -2.370992
H -4.312820 3.321479 1.878009
H -3.874733 0.007164 -0.847411
H 5.546365 1.936665 2.307913
H 3.479040 0.454531 -1.187024
H -6.586154 2.530397 2.473789
H -6.154930 -0.787477 -0.239169
H -7.511705 0.475590 1.420030
H 7.313877 2.918012 0.840527
H 5.249461 1.436126 -2.645017
H 7.161145 2.665153 -1.629745


%chk=000298243-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000298243

0 1
S -0.383822 -4.141855 0.989052
S -0.676957 -1.261476 -3.279680
O -0.472391 1.261393 1.043142
O -0.593305 -2.252968 1.250338
O -1.061420 -1.503706 -1.429273
O 2.229485 0.064096 0.787666
O -1.814014 1.254075 -0.884027
O 1.025627 -4.366187 0.219010
O -0.678641 -4.811006 2.423801
O 0.716995 -0.444844 -3.406522
O -0.871056 -2.735410 -3.902472
O 3.308998 0.544940 2.796651
C 0.408546 -1.461643 0.518651
C -0.311798 -0.603474 -0.546011
C 1.124462 -0.568759 1.554478
C -1.261151 0.405814 0.130608
C 0.158316 0.481550 2.122519
C -2.712740 2.337607 -0.357007
C 3.294705 0.588134 1.541572
C -1.834015 -4.436978 -0.201336
C -2.127795 -0.125566 -3.742226
C -3.963410 1.797002 0.305571
C 4.353833 1.172056 0.675231
C -4.044284 1.711136 1.719108
C -5.065390 1.358299 -0.472930
C 5.490092 1.740182 1.309605
C 4.256256 1.171476 -0.741484
C -5.202615 1.195255 2.343694
C -6.223998 0.841735 0.146997
C -6.294341 0.758577 1.558310
C 6.521633 2.304116 0.532682
C 5.292484 1.737175 -1.513356
C 6.424471 2.303463 -0.879873
H 1.143574 -2.131705 0.027853
H 0.454756 -0.039038 -1.118059
H 1.547112 -1.177152 2.374243
H -2.051400 -0.114602 0.715924
H 0.686605 1.213275 2.750333
H -0.610467 -0.048133 2.724292
H -2.945320 2.917580 -1.265156
H -2.119851 2.957667 0.336197
H -2.736788 -4.204277 0.378855
H -1.772436 -5.493748 -0.497087
H -1.670113 -3.735401 -1.030743
H -3.023118 -0.757815 -3.672885
H -1.926474 0.226139 -4.763831
H -2.106782 0.662982 -2.974223
H -3.197718 2.056026 2.325730
H -5.014759 1.427261 -1.567058
H 5.543036 1.726636 2.403292
H 3.379203 0.730883 -1.223454
H -5.254731 1.136158 3.436401
H -7.072208 0.511972 -0.463350
H -7.194519 0.361626 2.040656
H 7.398293 2.741246 1.022420
H 5.218651 1.735140 -2.605954
H 7.227495 2.740971 -1.483686


