%chk=000003464.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003464

0 1
 S   0.1383000      -1.286000     -0.4193000    
 O    1.514700       1.967200      0.5241000    
 O    4.943600     -3.7400000E-02 -0.6110000    
 O    1.741700       1.243700      -1.610600    
 O    4.313900     -0.2891000       1.557000    
 N   -3.497100      0.3008000      0.3847000    
 N   -5.728100      0.8812000      0.6093000    
 N   -5.265500      -1.005200     -0.5833000    
 C    1.611300     -0.3953000      0.1995000    
 C    2.877600      -1.159200     -0.1814000    
 C   -1.119500     -0.1535000      0.2092000    
 C   -2.512600     -0.6395000     -0.1583000    
 C    1.619600      0.9928000     -0.4186000    
 C    4.105200     -0.4677000      0.3637000    
 C   -4.743100      4.7100000E-02  0.1352000    
 H    1.538100     -0.3157000       1.290100    
 H    2.874100      -2.179000      0.2214000    
 H    2.979000      -1.243700      -1.271100    
 H  -0.9774000      0.8464000     -0.2128000    
 H   -1.026500     -7.6300003E-02   1.298100    
 H   -2.681300      -1.638200      0.2641000    
 H   -2.608000     -0.6933000      -1.250300    
 H    1.537500       2.863600      0.1263000    
 H    5.728800      0.4211000     -0.2427000    
 H   -5.499200       1.703100       1.157800    
 H   -6.709100      0.7017000      0.4254000    
 H   -6.266700      -1.102000     -0.7148000    
 H   -4.679500      -1.717700      -1.003400    


%chk=000003464-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003464

0 1
S 0.173631 -1.068323 -0.641903
O 0.960810 2.173965 -0.354926
O 5.283311 -1.166452 0.290337
O 2.556094 1.346939 -1.829787
O 4.194984 0.700261 1.142301
N -3.581911 0.034394 0.640001
N -5.820575 0.470802 1.140598
N -5.344935 -0.769786 -0.811764
C 1.694138 -0.093541 -0.010695
C 2.930745 -0.986937 -0.159095
C -1.191190 -0.232298 0.385643
C -2.558886 -0.564795 -0.233300
C 1.819715 1.176643 -0.833666
C 4.153323 -0.366344 0.491143
C -4.849781 -0.096779 0.314765
H 1.500145 0.165209 1.041900
H 2.746593 -1.973285 0.304090
H 3.158043 -1.167170 -1.225291
H -1.012761 0.853877 0.369240
H -1.138564 -0.606666 1.420397
H -2.664459 -1.674800 -0.312578
H -2.584387 -0.160723 -1.273467
H 1.044820 2.981404 -0.930929
H 6.071087 -0.738371 0.723514
H -5.484655 0.962392 1.963444
H -6.816051 0.407543 0.956290
H -6.337472 -0.836815 -1.019466
H -4.692014 -1.200445 -1.458497


