%chk=000298226.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298226

0 1
S -1.625999 0.443681 1.749062
S 1.533063 1.103301 -1.656424
O 0.716033 -3.675709 -1.150208
O 0.235911 -3.205134 1.891088
O -1.451162 -0.718612 0.519811
O 1.427761 -0.418450 -0.901347
O 0.532613 -5.452978 1.359403
O -0.297330 -2.530929 -2.882579
O -0.322663 1.065360 1.859287
O -2.171089 -0.253240 2.884940
O 0.201675 1.664077 -1.546778
O 2.077840 0.859002 -2.966706
C -0.634007 -2.921073 0.768594
C -0.233612 -1.476567 0.405293
C -0.465394 -3.949955 -0.363861
C 0.241738 -1.210366 -1.039780
C 0.696542 -2.446074 -1.851815
C -0.245580 -5.380566 0.152528
C 0.125733 -4.541151 2.376980
C 0.036132 -3.419880 -3.968669
C -2.792420 1.454665 1.030701
C 2.666964 1.856920 -0.637558
C -4.077554 1.535463 1.591418
C -2.487487 2.197555 -0.117461
C 3.938755 2.183161 -1.136658
C 2.350871 2.140005 0.698290
C -5.043379 2.357170 1.019824
C -3.454593 3.021738 -0.694582
C 4.878841 2.797810 -0.316403
C 3.292448 2.755081 1.524181
C -4.738246 3.107532 -0.133410
C 4.562355 3.086528 1.026266
C -5.769063 3.996875 -0.742084
C 5.566370 3.752331 1.905098
H -1.688442 -2.935387 1.143284
H 0.551672 -1.111760 1.124817
H -1.340742 -3.901069 -1.056999
H -0.562883 -0.656458 -1.597674
H 1.732303 -2.366167 -2.247196
H -1.207120 -5.894829 0.324320
H 0.386894 -5.956936 -0.556339
H -0.898182 -4.755361 2.717543
H 0.911964 -4.619164 3.148221
H -0.884557 -3.433282 -4.562998
H 0.276643 -4.415810 -3.584260
H 0.867349 -3.001282 -4.544835
H -4.321222 0.947866 2.485287
H -1.485061 2.136108 -0.578993
H 4.192425 1.951807 -2.178621
H 1.360215 1.876350 1.111615
H -6.036008 2.418362 1.461436
H -3.205349 3.592786 -1.588529
H 5.861372 3.050918 -0.709910
H 3.035351 2.967644 2.561615
H -5.716334 5.007433 -0.306515
H -5.638215 4.110207 -1.827980
H -6.792437 3.630523 -0.580299
H 5.470952 4.848074 1.844093
H 5.445193 3.479491 2.963503
H 6.600652 3.503865 1.628477


%chk=000298226-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000298226

0 1
S -1.867364 0.431997 1.789017
S 1.743972 1.168082 -1.750590
O 0.438252 -3.615093 -1.410521
O 1.396663 -2.897018 1.367250
O -1.601493 -0.982636 0.534106
O 1.602480 -0.640422 -1.153628
O 1.503507 -5.264124 0.839498
O -1.289255 -2.341087 -2.508726
O -0.420590 1.161719 1.943828
O -2.611212 -0.154879 3.098315
O 0.255546 1.808779 -1.581955
O 2.466769 1.192637 -3.194572
C -0.001385 -2.795020 0.903377
C -0.184201 -1.358313 0.379913
C -0.307481 -3.870794 -0.162337
C 0.213749 -1.120022 -1.103301
C 0.090307 -2.347878 -2.036460
C 0.119931 -5.259446 0.332772
C 1.661289 -4.245217 1.861659
C -1.533265 -3.322359 -3.577981
C -3.063065 1.478292 0.800343
C 2.912738 1.819785 -0.444078
C -4.395287 1.509583 1.242074
C -2.582642 2.178417 -0.318465
C 4.244436 2.039470 -0.829994
C 2.413532 2.056207 0.847223
C -5.300301 2.310174 0.512122
C -3.515411 2.967737 -1.025239
C 5.127833 2.540378 0.150344
C 3.324581 2.556450 1.802304
C -4.876684 3.049138 -0.624174
C 4.684390 2.806863 1.472846
C -5.852304 3.926519 -1.385286
C 5.638101 3.368501 2.510084
H -0.690517 -2.944701 1.764125
H 0.453586 -0.693884 1.000657
H -1.397478 -3.859155 -0.375856
H -0.469282 -0.339314 -1.496805
H 0.809864 -2.259940 -2.872899
H -0.575816 -5.586832 1.137803
H 0.102525 -5.985572 -0.493826
H 0.969722 -4.459153 2.713400
H 2.715726 -4.262802 2.166442
H -2.597992 -3.221028 -3.837244
H -1.319015 -4.351864 -3.235373
H -0.907240 -3.097237 -4.465139
H -4.706893 0.934966 2.119823
H -1.537737 2.114051 -0.645204
H 4.572814 1.829384 -1.852593
H 1.368728 1.858013 1.114566
H -6.347945 2.356761 0.829701
H -3.174947 3.521438 -1.907290
H 6.175028 2.720619 -0.117064
H 2.968369 2.745332 2.821085
H -5.811384 4.969327 -1.015228
H -5.615992 3.953463 -2.463090
H -6.892120 3.576309 -1.268553
H 5.587674 4.474480 2.529889
H 5.388783 3.011865 3.524332
H 6.683906 3.090550 2.294079


