%chk=000009446.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000009446

0 1
 S  -0.8033000      -2.134400     -7.6800004E-02
 O    1.996200      4.8000000E-02  0.4454000    
 O   -2.040800      -2.856400     -0.3285000    
 O   0.3525000      -2.351700     -0.9330000    
 O    1.578100     -7.9899997E-02  -1.805100    
 N  -0.3392000      -2.379400       1.548400    
 N   -4.094100       1.757900      0.5633000    
 C   -1.163000     -0.4210000     -6.1099999E-02
 C  -0.1810000      0.5292000     -0.3411000    
 C    3.384500      0.3336000      0.2400000    
 C   -2.462600     -1.3000000E-02  0.2395000    
 C  -0.4984000       1.887200     -0.3204000    
 C   -2.780300       1.345100      0.2599000    
 C    1.187200      0.1417000     -0.6588000    
 C   -1.798200       2.295300     -2.0099999E-02
 C    3.529900       1.746800     -0.3034000    
 C    4.132700      0.1510000       1.551700    
 H    3.788400     -0.3863000     -0.4826000    
 H   -3.235800     -0.7425000      0.4675000    
 H   0.2578000       2.637600     -0.5369000    
 H   -2.033100       3.356600     -7.3000002E-03
 H    4.585000       2.032000     -0.3698000    
 H    3.101000       1.857000      -1.303600    
 H    3.017500       2.468400      0.3429000    
 H    5.203700      0.3394000       1.430800    
 H    3.996600     -0.8684000       1.928800    
 H    3.741200      0.8251000       2.321500    
 H  -0.9798000      -2.907500       2.153500    
 H   0.6545000      -2.557000       1.739300    
 H   -4.324400       2.742600      0.5789000    
 H   -4.807000       1.070100      0.7671000    


%chk=000009446-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000009446

0 1
S -0.340267 -1.665089 0.795787
O 1.868448 0.339164 0.271507
O -1.586324 -2.572042 1.327050
O 0.624812 -2.301893 -0.349855
O 1.666823 1.896701 -1.450809
N 0.509466 -1.154175 2.314325
N -4.581179 1.215522 0.108688
C -1.080005 0.017915 0.227366
C -0.339074 1.066330 -0.372630
C 3.350778 0.207816 -0.029669
C -2.464424 0.037808 0.390781
C -1.109096 2.175260 -0.833702
C -3.207190 1.171054 -0.056218
C 1.128403 1.150368 -0.593756
C -2.498300 2.240742 -0.681576
C 4.094428 1.377551 0.627364
C 3.759163 -1.175341 0.482965
H 3.442503 0.266495 -1.129303
H -2.956350 -0.830195 0.847149
H -0.563632 2.989478 -1.321919
H -3.046491 3.116844 -1.046144
H 5.180151 1.278172 0.443543
H 3.759022 2.340078 0.207965
H 3.929981 1.381576 1.720106
H 4.792088 -1.395807 0.157982
H 3.082588 -1.948279 0.081050
H 3.739672 -1.217199 1.588338
H 0.653950 -1.976300 2.920059
H 1.356200 -0.623125 2.054308
H -5.121401 2.011043 -0.220640
H -5.078943 0.446629 0.549887


