%chk=000225277.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225277

0 1
S 0.013587 1.446859 0.600190
O -0.283256 1.071677 1.976125
O -0.289925 2.792192 0.145343
C -0.848454 0.317673 -0.499643
C -0.430754 -1.109098 -0.268029
C -2.344129 0.467259 -0.373966
C 1.685794 1.141326 0.278952
C 0.061754 -1.863865 -1.345186
C -3.114833 0.561867 -1.544934
C -0.534965 -1.703172 0.999975
C -2.980996 0.495260 0.875890
C 2.374341 1.950054 -0.632595
C 2.366218 0.122999 0.954127
C 4.407252 0.689775 -0.229126
C 3.725293 1.725382 -0.893284
C 3.718521 -0.108698 0.700001
C 0.447573 -3.193408 -1.152530
C -4.503979 0.687605 -1.462900
C -0.149512 -3.032185 1.185300
C -4.370264 0.622182 0.950162
C 0.343589 -3.780932 0.111514
C -5.135726 0.717945 -0.216076
C 5.856757 0.455304 -0.493086
H -0.566613 0.608319 -1.550710
H 0.139332 -1.420945 -2.335912
H -2.635102 0.538505 -2.520795
H -0.917044 -1.123477 1.848937
H -2.397569 0.429126 1.802090
H 1.852805 2.773062 -1.136335
H 1.839957 -0.495234 1.690784
H 4.253623 2.358251 -1.603366
H 4.239543 -0.905314 1.227326
H 0.827124 -3.773028 -1.992640
H -5.094655 0.763636 -2.374281
H -0.237853 -3.486644 2.171612
H -4.856249 0.649549 1.924826
H 0.640931 -4.816991 0.258992
H -6.216964 0.818514 -0.153398
H 6.144854 -0.596715 -0.359527
H 6.152260 0.741907 -1.511849
H 6.476732 1.047678 0.199018


%chk=000225277-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000225277

0 1
S 0.005597 1.380154 0.589942
O -0.198311 0.952546 2.164956
O -0.365401 2.885794 0.060072
C -1.108775 -0.006898 -0.602224
C -0.589394 -1.364597 -0.272118
C -2.540550 0.379105 -0.383455
C 1.832181 1.097410 0.189432
C 0.507798 -1.871393 -1.027904
C -3.321161 0.716349 -1.521787
C -1.137565 -2.178726 0.757899
C -3.144876 0.428681 0.904151
C 2.407401 1.857945 -0.841741
C 2.560112 0.187204 0.971965
C 4.562508 0.759893 -0.352337
C 3.782753 1.675880 -1.108618
C 3.933939 0.023820 0.687458
C 1.038730 -3.150399 -0.767633
C -4.685026 1.052273 -1.387981
C -0.602242 -3.456886 1.020014
C -4.504104 0.781135 1.035054
C 0.486199 -3.948651 0.261389
C -5.282556 1.080929 -0.107248
C 6.048208 0.602784 -0.622051
H -0.736395 0.348085 -1.577629
H 0.939335 -1.257223 -1.827952
H -2.857578 0.707450 -2.515646
H -1.989893 -1.821689 1.340509
H -2.534893 0.259911 1.798030
H 1.804049 2.590589 -1.388404
H 2.067655 -0.356361 1.784714
H 4.258151 2.260403 -1.905042
H 4.525386 -0.680997 1.283344
H 1.877134 -3.524948 -1.364802
H -5.275100 1.301850 -2.276561
H -1.036401 -4.072940 1.815071
H -4.953874 0.835149 2.032557
H 0.894751 -4.944562 0.465777
H -6.338837 1.351210 0.001045
H 6.402528 -0.411374 -0.368089
H 6.293014 0.797809 -1.680613
H 6.634503 1.317484 -0.012544


