%chk=000113635.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113635

0 1
 S   0.1944000     -0.6905000      -1.205800    
 O    4.775700     -0.7927000      0.2974000    
 N    2.689400      0.2026000      0.5479000    
 C   -3.672300     -0.3351000      0.2389000    
 C   -2.449600     -0.1430000     -0.6638000    
 C   -4.871200      0.4662000     -0.2738000    
 C   -1.248400     -0.9165000     -0.1269000    
 C   -6.114500      0.3277000      0.6074000    
 C    1.370600      -1.710600     -0.2878000    
 C   -7.286800       1.177400      0.1421000    
 C    1.953900     -0.9778000      0.9127000    
 C    4.052000      0.1990000      0.2676000    
 C    4.557100       1.584700     -9.0000004E-02
 C    6.049500       1.608600     -0.3658000    
 H   -3.934900      -1.398700      0.2855000    
 H   -3.430200     -1.5799999E-02   1.259900    
 H   -2.694900     -0.4820000      -1.678300    
 H   -2.210100      0.9262000     -0.7242000    
 H   -4.594900       1.526300     -0.3356000    
 H   -5.116200      0.1435000      -1.293300    
 H   -1.487300      -1.983800     -7.3200002E-02
 H   -1.007700     -0.5643000      0.8807000    
 H   -5.863100      0.6105000       1.636700    
 H   -6.424600     -0.7237000      0.6339000    
 H   0.8894000      -2.642700      2.5900001E-02
 H    2.175600      -1.982400     -0.9795000    
 H   -7.590600      0.9003000     -0.8722000    
 H   -7.023600       2.239900      0.1437000    
 H   -8.145500       1.037500      0.8061000    
 H    1.175800     -0.6762000       1.621100    
 H    2.628800      -1.655700       1.447900    
 H    2.175700       1.076600      0.4838000    
 H    4.013400       1.933300     -0.9754000    
 H    4.326200       2.263700      0.7388000    
 H    6.616400       1.274200      0.5093000    
 H    6.305300      0.9503000      -1.202700    
 H    6.374600       2.622900     -0.6171000    


%chk=000113635-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113635

0 1
S 0.087757 -0.900403 -1.583046
O 4.867649 -0.705270 0.927232
N 2.837119 -0.185311 -0.083808
C -3.600033 -0.083434 0.354619
C -2.516822 -0.217405 -0.742992
C -4.926311 0.502159 -0.182550
C -1.213599 -0.826001 -0.197524
C -6.008903 0.656629 0.910139
C 1.356881 -2.058804 -0.773804
C -7.333394 1.233328 0.364629
C 2.145418 -1.397080 0.369075
C 4.165878 0.075486 0.210746
C 4.736957 1.358542 -0.407161
C 5.594397 2.146473 0.607782
H -3.796104 -1.078673 0.805255
H -3.219496 0.562267 1.173240
H -2.898143 -0.847991 -1.569727
H -2.308676 0.782077 -1.175038
H -4.730662 1.491814 -0.645618
H -5.314686 -0.149385 -0.992726
H -1.374769 -1.861186 0.154758
H -0.812900 -0.220904 0.634450
H -5.621715 1.312601 1.716389
H -6.199065 -0.331279 1.377183
H 0.815200 -2.950613 -0.413329
H 2.028736 -2.355101 -1.596855
H -7.756473 0.578553 -0.420439
H -7.176094 2.233080 -0.082565
H -8.090696 1.335848 1.163381
H 1.465113 -1.163689 1.213478
H 2.921880 -2.083111 0.755196
H 2.294627 0.460090 -0.666356
H 5.374890 1.053956 -1.260423
H 3.929509 1.994467 -0.818265
H 4.974064 2.548399 1.428952
H 6.351448 1.478138 1.051367
H 6.108418 2.991633 0.116256


