%chk=000001559.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001559

0 1
 S   0.9084000      -1.244600      -1.323400    
 O   0.9599000      -1.033300      -2.758700    
 O   0.6762000      -2.582700     -0.8109000    
 O   -1.022000       3.295600     -0.1720000    
 O   -4.115900      -1.492800     -0.2479000    
 O   -2.381500       1.608600     -0.9631000    
 O   -2.269100      -1.708600      -1.605100    
 N  -0.2253000     -0.1239000     -0.6278000    
 C  -0.7884000     -0.5236000      0.6542000    
 C    2.461200     -0.6997000     -0.6644000    
 C   2.2100000E-02   1.314100     -0.8225000    
 C   -2.008000      -1.171600      0.7033000    
 C  -6.9899999E-02 -0.2339000       1.799600    
 C    3.193700      0.2411000      -1.362500    
 C    2.903500      -1.228700      0.5331000    
 C    4.881000      0.1490000      0.3645000    
 C   -1.277500       2.051500     -0.6766000    
 C    4.415300      0.6696000     -0.8430000    
 C    4.125100     -0.8000000       1.052500    
 C   -2.528600      -1.544100       1.942600    
 C  -0.5905000     -0.6066000       3.038800    
 C   -1.819900      -1.261500       3.110300    
 C   -2.771900      -1.482100     -0.4984000    
 C    6.187500      0.6070000      0.9192000    
 C   -2.169400       4.127900      2.6699999E-02
 C   -1.720700       5.461200      0.5859000    
 C   -4.975200      -1.787800      -1.354200    
 H   0.7547000       1.687400     -0.1005000    
 H   0.3855000       1.511400      -1.835900    
 H   0.8781000      0.2922000       1.772100    
 H    2.846600      0.6619000      -2.300800    
 H    2.332500      -1.970500       1.082200    
 H   -3.476200      -2.068700       2.033500    
 H    4.993900       1.411700      -1.386900    
 H    4.476500      -1.212100       1.994800    
 H  -4.0500000E-02 -0.3833000       3.948300    
 H   -2.223700      -1.553400       4.075300    
 H    6.882300      0.8816000      0.1183000    
 H    6.668700     -0.1852000       1.502700    
 H    6.036400       1.476700       1.566300    
 H   -2.854400       3.642600      0.7308000    
 H   -2.679700       4.280800     -0.9308000    
 H   -2.574900       6.123700      0.7505000    
 H   -1.192400       5.322600       1.535000    
 H   -1.020300       5.950400     -9.9100001E-02
 H   -4.762100      -2.788800      -1.740700    
 H   -6.008800      -1.759300     -0.9996000    
 H   -4.850500      -1.035700      -2.138900    


%chk=000001559-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000001559

0 1
S 0.360218 -0.325094 -1.616964
O 0.487751 0.682211 -2.888692
O -0.229641 -1.834175 -1.728551
O -1.232836 4.229702 -0.318503
O -2.774269 -3.051947 -0.431672
O -2.300247 2.731584 1.117269
O -3.226793 -0.875459 -1.125146
N -0.827267 0.643190 -0.289467
C -0.991189 -0.117843 0.897349
C 2.061820 -0.446247 -0.807458
C -0.330361 2.028406 -0.240492
C -1.814852 -1.293476 0.856442
C -0.352275 0.234206 2.122212
C 3.003538 0.557100 -1.092216
C 2.322963 -1.534427 0.042373
C 4.588172 -0.616265 0.392676
C -1.415924 2.981403 0.274546
C 4.273527 0.457982 -0.482765
C 3.601037 -1.607872 0.638654
C -1.927864 -2.094996 2.018741
C -0.516890 -0.549283 3.278175
C -1.292805 -1.730895 3.224737
C -2.645358 -1.656002 -0.342250
C 5.949519 -0.697480 1.058221
C -2.182946 5.305574 0.115703
C -1.811190 6.560439 -0.665945
C -3.530802 -3.525634 -1.611875
H 0.579869 2.187112 0.384215
H -0.080205 2.330193 -1.272667
H 0.264719 1.136172 2.174463
H 2.762109 1.361251 -1.795232
H 1.565640 -2.307451 0.207205
H -2.541355 -2.998406 1.966524
H 5.032280 1.218858 -0.699272
H 3.834607 -2.451311 1.298343
H -0.034130 -0.247515 4.214186
H -1.413192 -2.354844 4.116547
H 6.738813 -0.260382 0.422416
H 6.229062 -1.740833 1.284289
H 5.953686 -0.141043 2.015579
H -2.081000 5.436270 1.208532
H -3.209773 4.958714 -0.096701
H -2.488544 7.387792 -0.386026
H -0.774979 6.871182 -0.448215
H -1.902949 6.388582 -1.751725
H -3.018727 -3.198973 -2.532381
H -3.531269 -4.621573 -1.524970
H -4.557895 -3.122397 -1.603408


