%chk=000066689.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066689

0 1
 S    1.256500       1.122200     -0.4418000    
 S   -4.098500       1.445000      7.2700001E-02
 O   -4.791700       1.316000       1.546300    
 O   -3.308600       2.665900      7.7200003E-02
 O   -5.124000       1.224300     -0.9329000    
 N    1.624500      -1.334000      0.2541000    
 N   -4.839500      -1.502700     -0.1633000    
 C  -0.7147000     -0.7113000     -8.1699997E-02
 C   0.7046000     -0.4494000     -5.2800000E-02
 C   -2.991700      9.1799997E-02 -2.9500000E-02
 C    2.880900      0.6048000     -0.1844000    
 C    2.878300     -0.7443000      0.1832000    
 C   -1.620400      0.3459000     -3.0000000E-03
 C   -3.456100      -1.219400     -0.1349000    
 C   -1.178100      -2.022200     -0.1868000    
 C    4.071900       1.339700     -0.2995000    
 C    5.279600      0.6888000     -3.5200000E-02
 C   -2.549200      -2.276400     -0.2133000    
 C    4.112600      -1.377800      0.4445000    
 C    5.302100     -0.6522000      0.3320000    
 C    6.561400       1.445300     -0.1508000    
 H   -1.289900       1.371800      0.1141000    
 H  -0.4909000      -2.862200     -0.2525000    
 H    4.050500       2.386500     -0.5886000    
 H   -2.897400      -3.302800     -0.2962000    
 H    4.141500      -2.425100      0.7315000    
 H    6.245000      -1.154300      0.5343000    
 H    7.312100       1.060700      0.5480000    
 H    6.955000       1.363600      -1.168800    
 H    6.417900       2.505200      8.6199999E-02
 H   -5.524800     -0.7639000     -9.3800001E-02
 H   -5.151800      -2.462000     -0.2388000    
 H   -4.173200       1.379000       2.311700    


%chk=000066689-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000066689

0 1
S 1.323478 1.397417 -0.040681
S -4.268942 1.410010 -0.022353
O -4.415962 1.531491 1.827813
O -3.599554 2.774671 -0.567377
O -5.725898 0.946353 -0.593113
N 1.658442 -1.282578 -0.004588
N -4.878617 -1.697198 -0.137264
C -0.729621 -0.660099 -0.038168
C 0.702712 -0.368962 -0.024714
C -3.073048 -0.005409 -0.066174
C 2.996063 0.708858 -0.015534
C 2.945749 -0.724094 0.001710
C -1.715067 0.351596 -0.042350
C -3.548041 -1.354743 -0.086363
C -1.167428 -2.022628 -0.039758
C 4.218852 1.405832 -0.010302
C 5.429379 0.669792 0.010842
C -2.520284 -2.357909 -0.067497
C 4.158201 -1.455363 0.024777
C 5.377957 -0.757378 0.029584
C 6.769861 1.383242 0.004349
H -1.444100 1.414016 -0.040317
H -0.401758 -2.804256 -0.028697
H 4.246007 2.500117 -0.022597
H -2.824440 -3.410760 -0.079536
H 4.121354 -2.548537 0.040136
H 6.319223 -1.319374 0.048580
H 7.416146 1.030880 0.829511
H 7.317408 1.195332 -0.939078
H 6.651743 2.475018 0.109951
H -5.591725 -0.967429 -0.261809
H -5.148641 -2.677552 -0.141941
H -5.005547 2.316143 2.030157


