%chk=000090044.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090044

0 1
 S  -7.5999998E-02 -0.3122000     -0.8062000    
 O   -1.567000       1.148700      0.8033000    
 O    4.273900      0.6165000       1.071400    
 O   -4.276700      0.9403000      0.2638000    
 N    3.099600     -0.2380000     -0.7492000    
 C    2.369200      0.9518000      -1.093700    
 C    1.027000       1.053600     -0.3821000    
 C   -2.665000     -0.8303000     -6.4599998E-02
 C   -1.525000      0.1507000      9.5399998E-02
 C    3.994800     -0.3056000      0.3097000    
 C   -4.059700     -0.2588000      9.7000003E-02
 C   -5.196700      -1.242400     -8.9999996E-03
 C    4.601600      -1.674500      0.4641000    
 H    2.980000       1.824900     -0.8372000    
 H    2.236700      0.9534000      -2.181500    
 H    1.179300       1.058300      0.7029000    
 H   0.5476000       1.998000     -0.6609000    
 H    2.931000      -1.071300      -1.305200    
 H   -2.629100      -1.278500      -1.064200    
 H   -2.529600      -1.618200      0.6845000    
 H   -6.145800     -0.7304000      0.1723000    
 H   -5.212400      -1.677300      -1.011200    
 H   -5.073400      -2.027300      0.7413000    
 H    5.461500      -1.622100       1.137600    
 H    3.856600      -2.356900      0.8822000    
 H    4.939300      -2.052900     -0.5049000    


%chk=000090044-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000090044

0 1
S -0.093635 -0.015333 1.994930
O -1.447802 1.902810 0.568172
O 4.031269 -0.099498 0.043029
O -1.016165 -0.993216 -1.204870
N 1.787920 0.089521 -0.535994
C 1.620417 1.370814 0.154035
C 1.295301 1.236417 1.661076
C -2.515106 -0.296341 0.620978
C -1.445491 0.723638 0.989596
C 3.000069 -0.576326 -0.530584
C -2.158688 -1.047893 -0.684157
C -3.290374 -1.847220 -1.306883
C 3.018910 -1.913396 -1.267059
H 2.571530 1.929249 0.077959
H 0.826525 1.946302 -0.348322
H 2.154368 0.829910 2.219100
H 0.989259 2.206750 2.084530
H 0.947478 -0.354259 -0.924244
H -2.641379 -1.054010 1.419433
H -3.487548 0.212276 0.484315
H -2.891752 -2.576291 -2.028960
H -3.895737 -2.361126 -0.539474
H -3.966663 -1.154960 -1.846164
H 3.756741 -1.862632 -2.086652
H 3.355605 -2.702914 -0.573256
H 2.036649 -2.192772 -1.684933


