%chk=000005353.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005353

0 1
 S    5.103100     -0.6134000      0.3354000    
 O   0.7468000       2.088900     -2.8800000E-02
 O    5.619700      0.7444000      0.7222000    
 N   -1.671900      -1.234400     -0.3570000    
 N   -1.641200      0.7907000      0.5693000    
 N   -4.043500       1.139800      0.5960000    
 C   0.5324000     -0.2946000      0.1929000    
 C  -0.9081000     -0.2173000      0.1493000    
 C    1.316100      0.8565000      0.1016000    
 C   -2.983000     -0.8560000     -0.2563000    
 C    1.142400      -1.542600      0.3273000    
 C   -2.935300      0.4070000      0.3227000    
 C    3.315600     -0.4882000      0.2796000    
 C    2.707000      0.7598000      0.1449000    
 C    2.533300      -1.639300      0.3708000    
 C   -4.185600      -1.463800     -0.5998000    
 C   -5.332300     -0.7233000     -0.3252000    
 C   -5.205600      0.5343000      0.2554000    
 C    5.384000     -0.8014000      -1.445400    
 C   0.5062000       2.552900      -1.355000    
 H   -1.340200      -2.104600     -0.7520000    
 H   0.5652000      -2.459500      0.4162000    
 H    3.301400       1.666900      6.8300001E-02
 H    2.993100      -2.618400      0.4790000    
 H   -4.230700      -2.447200      -1.051000    
 H   -6.313000      -1.123000     -0.5618000    
 H   -6.095500       1.119000      0.4730000    
 H    4.924500      -1.729900      -1.792600    
 H    6.461300     -0.8448000      -1.622200    
 H    4.963500      5.1300000E-02  -1.984200    
 H  -0.1281000       1.853500      -1.908400    
 H    1.453300       2.697200      -1.884500    
 H  -8.7000001E-03   3.515500      -1.292500    


%chk=000005353-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000005353

0 1
S 5.296834 -0.552143 0.511522
O 1.189421 2.334924 -0.461421
O 5.805176 1.033662 0.360917
N -1.607965 -1.078796 -0.674732
N -1.651627 0.850417 0.556126
N -4.106777 1.017987 0.756549
C 0.616812 -0.108744 -0.043866
C -0.856123 -0.049663 -0.058639
C 1.500993 1.016903 -0.165107
C -2.957278 -0.813647 -0.444474
C 1.194551 -1.395997 0.196945
C -2.969117 0.407550 0.325940
C 3.402671 -0.451436 0.247703
C 2.900634 0.824083 0.013789
C 2.577677 -1.591347 0.344412
C -4.162054 -1.448050 -0.800503
C -5.340470 -0.812546 -0.349241
C -5.266497 0.392714 0.409502
C 5.692653 -1.320162 -1.216600
C -0.080140 2.753197 -1.083789
H -1.218230 -1.832913 -1.238545
H 0.523366 -2.250603 0.341869
H 3.589056 1.677170 -0.049092
H 2.981348 -2.585444 0.562801
H -4.197818 -2.372828 -1.385406
H -6.322225 -1.238142 -0.578117
H -6.186962 0.877743 0.752852
H 5.213582 -2.307828 -1.295408
H 6.788800 -1.393695 -1.265624
H 5.304455 -0.610062 -1.960422
H -0.889723 2.756311 -0.337109
H -0.346362 2.082385 -1.923059
H 0.127537 3.765000 -1.462572


