%chk=000080980.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080980

0 1
 S    1.022500       3.123500     -2.4900001E-02
 S    5.966600      -1.813500       1.122900    
 O    1.462200      0.7196000      -1.718200    
 O   -1.648200       2.867200       1.178700    
 O  -0.2464000      -1.340800      -2.109100    
 O   -3.883600       1.687000       1.595200    
 O   -2.535000      -2.390000      -1.584800    
 O    1.759300       3.315000      -1.469300    
 O   0.2425000       4.324200      0.2221000    
 O    2.010700       2.662800      0.9342000    
 O    6.654900     -0.6139000       1.994800    
 O    5.417500      -2.768500       2.074200    
 O    6.919600      -2.239600      0.1100000    
 C   -2.236900      0.7474000      0.1815000    
 C   -1.884800     -0.3183000     -0.6495000    
 C  -0.1019000       1.797600     -0.2633000    
 C   -1.342800       1.807300      0.3746000    
 C  -0.6387000     -0.3237000      -1.288000    
 C   -4.481700     -0.3592000      0.6493000    
 C   -4.129600      -1.424900     -0.1815000    
 C   0.2493000      0.7345000      -1.092700    
 C   -3.548300      0.7660000      0.8611000    
 C   -2.818000      -1.443600     -0.8609000    
 C   -5.727700     -0.3538000       1.287900    
 C   -5.023400      -2.485100     -0.3740000    
 C   -6.615200      -1.412600       1.093800    
 C   -6.263900      -2.475900      0.2644000    
 C    2.518800      0.1262000      -1.051600    
 C    2.305300     -0.4193000      0.2023000    
 C    3.764100      9.1399997E-02  -1.654400    
 C    4.632800      -1.062000      0.2826000    
 C    3.370700      -1.018000      0.8748000    
 C    4.829400     -0.5074000     -0.9821000    
 H   -6.027000      0.4626000       1.939600    
 H   -4.775000      -3.326700      -1.015000    
 H   -7.581600      -1.407900       1.589600    
 H   -6.956800      -3.298800      0.1147000    
 H   -2.529500       2.770400       1.567700    
 H   0.6149000      -1.120600      -2.502600    
 H    1.354800     -0.4219000      0.7235000    
 H    3.918800      0.5249000      -2.637900    
 H    3.196900      -1.437800       1.861700    
 H    5.804600     -0.5228000      -1.460400    
 H    1.167900       3.568700      -2.216400    
 H    6.074000     -0.1986000       2.675000    


%chk=000080980-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000080980

0 1
S 0.993844 2.729987 0.422046
S 6.736052 -1.043693 0.960805
O 1.320061 -0.109333 -1.526537
O -1.653606 2.387290 1.480176
O -0.603063 -1.742973 -2.120718
O -3.977184 1.608175 1.713766
O -3.180620 -2.482957 -1.913588
O 2.138856 2.462166 -1.020515
O 0.302905 4.162326 0.192253
O 1.774414 2.414622 1.797944
O 7.149786 0.742274 1.258908
O 6.595609 -1.788484 2.389872
O 7.727656 -1.619663 -0.180066
C -2.480987 0.463176 0.223590
C -2.231411 -0.596457 -0.710850
C -0.165847 1.285060 -0.035893
C -1.449748 1.395326 0.575291
C -0.928965 -0.725129 -1.249734
C -4.887048 -0.279458 0.521077
C -4.666321 -1.329920 -0.416429
C 0.119408 0.200011 -0.874887
C -3.792067 0.642140 0.859896
C -3.335749 -1.539819 -1.078935
C -6.159686 -0.116433 1.126255
C -5.730034 -2.208049 -0.735524
C -7.209228 -0.996027 0.800919
C -6.993044 -2.043408 -0.131957
C 2.567191 -0.274646 -0.856252
C 2.668660 -0.473511 0.535962
C 3.687411 -0.309785 -1.712850
C 5.050244 -0.720802 0.230082
C 3.945335 -0.692712 1.094045
C 4.961531 -0.538083 -1.161052
H -6.296461 0.700852 1.840521
H -5.539655 -3.008210 -1.457405
H -8.192282 -0.872314 1.266545
H -7.811054 -2.726335 -0.383955
H -2.666820 2.311472 1.790179
H 0.347910 -1.624858 -2.403035
H 1.790902 -0.446116 1.186413
H 3.552712 -0.143199 -2.784465
H 4.070243 -0.847954 2.169741
H 5.856655 -0.582899 -1.788447
H 2.819662 3.193808 -0.978298
H 8.035933 0.775643 1.724707


