%chk=000179949.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179949

0 1
S -0.393233 2.926926 1.270022
P 0.216206 1.370743 0.064082
O -0.275070 0.032943 0.911598
O 1.810184 1.364824 0.495090
O -0.112539 1.427198 -1.375359
C -0.639454 4.359488 0.073988
C -1.587751 -0.405849 0.718087
C 2.623027 0.370449 -0.066177
C -3.389932 -1.260258 -0.632211
C 4.241072 -1.358521 0.391346
C -4.148980 -1.468812 0.543281
C 4.442688 -1.507400 -1.002261
C -2.096782 -0.727416 -0.543838
C 3.320764 -0.414262 0.859644
C -1.779166 4.047015 -0.865727
C -0.912203 5.523201 1.004829
C -2.318678 -0.597464 1.895838
C 2.803586 0.246831 -1.445743
C -3.601499 -1.136344 1.791407
C 3.721364 -0.705599 -1.897546
C -3.947323 -1.605621 -1.975162
C 4.994921 -2.199615 1.369788
C -5.528606 -2.040438 0.470672
C 5.416102 -2.512584 -1.529136
H 0.315014 4.512622 -0.482891
H -1.505249 -0.565306 -1.448896
H 3.137174 -0.273846 1.923490
H -2.061016 4.931565 -1.453696
H -1.519801 3.260353 -1.598841
H -2.685469 3.710800 -0.344550
H -1.046478 6.453727 0.434165
H -0.087687 5.700301 1.710487
H -1.826298 5.385664 1.600057
H -1.882458 -0.336558 2.857200
H 2.249765 0.863392 -2.155158
H -4.184265 -1.297647 2.698190
H 3.875031 -0.820366 -2.970767
H -3.257911 -1.357246 -2.794158
H -4.164528 -2.680701 -2.051238
H -4.884694 -1.065665 -2.170502
H 6.079909 -2.054253 1.267687
H 4.735512 -1.970328 2.411964
H 4.790627 -3.269015 1.215200
H -5.523080 -3.035699 0.003606
H -5.991654 -2.152385 1.459388
H -6.194199 -1.400856 -0.126271
H 5.143898 -3.531248 -1.217939
H 5.468272 -2.514918 -2.625456
H 6.432186 -2.315524 -1.158882


%chk=000179949-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179949

0 1
S -0.092132 3.275199 1.377966
P 0.450556 1.522912 0.055123
O -0.174315 0.044729 0.770470
O 2.104008 1.317164 0.535293
O 0.124830 1.718873 -1.494932
C -1.163820 4.232988 0.071359
C -1.529693 -0.365616 0.608259
C 2.925395 0.271816 -0.002437
C -3.454004 -0.955133 -0.789716
C 4.546253 -1.496914 0.480611
C -4.175480 -1.342308 0.382487
C 4.708710 -1.713787 -0.923598
C -2.129336 -0.471573 -0.666925
C 3.643520 -0.503973 0.927871
C -2.597046 3.685149 0.042946
C -1.075924 5.717631 0.464630
C -2.227216 -0.731528 1.775606
C 3.071223 0.081958 -1.390706
C -3.543370 -1.225180 1.645356
C 3.964033 -0.920504 -1.830232
C -4.090681 -1.064783 -2.163725
C 5.323625 -2.322743 1.489872
C -5.593483 -1.875130 0.282318
C 5.663753 -2.775236 -1.439580
H -0.656635 4.046671 -0.891341
H -1.562864 -0.175771 -1.556210
H 3.490411 -0.322510 1.996257
H -3.194674 4.258234 -0.692849
H -2.621989 2.622834 -0.255389
H -3.080117 3.781681 1.031660
H -1.656608 6.316774 -0.262080
H -0.033792 6.079350 0.459368
H -1.505577 5.896905 1.467227
H -1.739052 -0.636184 2.749671
H 2.507630 0.694521 -2.101111
H -4.093021 -1.521482 2.546548
H 4.088909 -1.083661 -2.907128
H -3.400177 -0.724321 -2.953049
H -4.381999 -2.107902 -2.393580
H -5.012654 -0.455676 -2.233636
H 6.416056 -2.195282 1.362183
H 5.069034 -2.036514 2.523995
H 5.114792 -3.403936 1.376189
H -5.639489 -2.799880 -0.325233
H -6.003457 -2.107685 1.279721
H -6.271910 -1.145618 -0.200785
H 5.394614 -3.782633 -1.067198
H 5.660904 -2.812368 -2.542130
H 6.703556 -2.583258 -1.110719


