%chk=000183453.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183453

0 1
S 2.253636 -0.989981 -0.171182
O 2.013285 -1.456702 -1.532068
O 2.507086 -1.965309 0.873489
O -1.835661 1.024336 -0.228909
O -2.289354 -0.050465 1.732155
O -2.181258 -4.677668 -0.864922
O -1.303282 -3.648756 0.949237
C 0.846210 0.026393 0.282189
C -0.438723 -0.815258 0.290827
C 1.140923 0.744538 1.630543
C -0.805164 -1.429087 -1.075159
C 0.284437 2.006021 1.811115
C 0.997051 -0.183142 2.836829
C -1.612551 0.046293 0.745390
C 3.596289 0.114595 -0.229604
C -2.026918 -2.348341 -1.007039
C 3.762054 0.957934 -1.331634
C 4.540530 0.112311 0.801476
C -1.767750 -3.566763 -0.162553
C 4.855892 1.826846 -1.387709
C 5.635954 0.979613 0.747605
C 5.790454 1.838520 -0.345896
C -2.829545 2.003202 -0.157293
C -3.657723 2.235046 0.942118
C -2.900002 2.769811 -1.333736
C -2.019348 -5.963925 -0.208724
C -4.588423 3.276204 0.853759
C -3.836317 3.800705 -1.391969
C -4.679687 4.056538 -0.302016
H 0.710953 0.823596 -0.496932
H -0.341005 -1.652093 1.053758
H 2.205848 1.101718 1.597203
H 0.059327 -1.998793 -1.501324
H -0.997164 -0.621208 -1.813414
H 0.067014 2.506614 0.861064
H 0.792848 2.730932 2.457249
H -0.679824 1.795046 2.292708
H -0.048008 -0.463995 3.028389
H 1.366027 0.294369 3.750654
H 1.558674 -1.124499 2.709907
H -2.318714 -2.654539 -2.038694
H -2.916363 -1.818507 -0.599947
H 3.048911 0.930917 -2.161102
H 4.427500 -0.575892 1.648391
H 4.985215 2.486145 -2.244713
H 6.370549 0.979990 1.551754
H 6.645142 2.514945 -0.389941
H -3.591815 1.620428 1.842735
H -2.237500 2.550095 -2.166522
H -0.971913 -6.102108 0.080636
H -2.671733 -6.007360 0.668454
H -2.326313 -6.670268 -0.986516
H -5.247616 3.475317 1.699153
H -3.912800 4.410033 -2.292285
H -5.407436 4.863008 -0.358384


%chk=000183453-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183453

0 1
S 2.433834 -0.617712 -0.784532
O 2.204620 -0.426853 -2.400199
O 2.665523 -2.101642 -0.123641
O -1.925437 0.889103 -0.300732
O -2.232934 -0.412034 1.637412
O -3.035653 -4.255068 -0.385092
O -0.997407 -3.785512 0.635036
C 0.843743 0.256054 0.117259
C -0.281405 -0.802996 0.158708
C 1.309612 0.866506 1.459243
C -0.532808 -1.532938 -1.199723
C 0.381722 2.034819 1.899130
C 1.473893 -0.180108 2.587822
C -1.570469 -0.115136 0.623082
C 3.980619 0.412437 -0.354500
C -1.827865 -2.370499 -1.235192
C 4.299062 1.495041 -1.190632
C 4.788157 -0.017589 0.710805
C -1.862496 -3.510423 -0.226289
C 5.487730 2.210889 -0.913368
C 5.974423 0.707594 0.970397
C 6.316162 1.821275 0.166227
C -3.083268 1.728112 -0.219480
C -4.035993 1.717341 0.826880
C -3.199815 2.613212 -1.315164
C -3.203408 -5.391600 0.553602
C -5.119527 2.624310 0.752008
C -4.288155 3.507895 -1.369331
C -5.253489 3.517331 -0.334133
H 0.648926 1.027870 -0.649213
H -0.052054 -1.571015 0.915310
H 2.300587 1.327159 1.267579
H 0.327438 -2.199723 -1.383770
H -0.562242 -0.795463 -2.020107
H 0.238349 2.774278 1.090235
H 0.839228 2.554498 2.760841
H -0.610019 1.675597 2.222205
H 0.492615 -0.538023 2.947698
H 2.000318 0.272952 3.446949
H 2.049866 -1.060200 2.247628
H -1.950939 -2.813153 -2.241602
H -2.730031 -1.747774 -1.078516
H 3.659533 1.740125 -2.045085
H 4.509666 -0.904404 1.290053
H 5.770217 3.059739 -1.544985
H 6.630881 0.398412 1.790469
H 7.238076 2.376597 0.370729
H -3.940182 1.025659 1.663797
H -2.442290 2.584258 -2.104201
H -2.384484 -6.118830 0.422817
H -3.201479 -5.028646 1.595101
H -4.173756 -5.833611 0.287897
H -5.864001 2.624363 1.555673
H -4.381776 4.193618 -2.218117
H -6.099515 4.211308 -0.376385


