%chk=000048517.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048517

0 1
 S   -2.089600     -0.4714000      0.2638000    
 O   0.2967000     -0.6589000       2.102300    
 O    2.013000     -0.2726000      -2.251400    
 O    2.541700       3.122000      0.7906000    
 N    1.332700       1.268800       1.414400    
 N    2.189500       1.462100     -0.7606000    
 C   0.5987000     -0.3436000     -0.2830000    
 C  -0.7530000      0.2116000     -0.7664000    
 C   0.5970000      -1.873200     -0.4194000    
 C   0.7376000      3.6699999E-02   1.187700    
 C    1.674200      0.2478000      -1.188800    
 C  -0.9921000     -0.1325000      -2.227100    
 C    1.834000      -2.459200      0.1756000    
 C    2.041300       2.035000      0.4968000    
 C   -3.481700      0.3518000     -0.5417000    
 C    1.828600      -3.322100       1.197700    
 C   -4.764000     -3.7300002E-02  0.1208000    
 C   -5.604700      0.8350000      0.6886000    
 H  -0.7710000       1.302800     -0.6522000    
 H   0.5752000      -2.188800      -1.469700    
 H  -0.2661000      -2.352900      5.2900001E-02
 H   -1.177600      -1.197600      -2.401000    
 H   -1.851100      0.4154000      -2.627600    
 H  -0.1798000      0.1807000      -2.886000    
 H    1.317000       1.611500       2.371000    
 H    2.805300       1.947300      -1.407200    
 H    2.791900      -2.188100     -0.2602000    
 H   -3.330900       1.435900     -0.5197000    
 H   -3.570800      2.8999999E-02  -1.581600    
 H    2.760500      -3.723500       1.581100    
 H   0.9062000      -3.642200       1.669300    
 H   -5.040300      -1.089400      0.1156000    
 H   -6.528100      0.4921000       1.142200    
 H   -5.389600       1.897600      0.7123000    


%chk=000048517-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048517

0 1
S -2.274612 -0.593357 0.109742
O 0.281931 -0.718050 2.159790
O 2.204087 -0.423011 -2.164960
O 2.132526 3.263665 0.661337
N 1.038175 1.308265 1.339784
N 2.056994 1.428820 -0.787389
C 0.580458 -0.530794 -0.296272
C -0.780989 -0.000723 -0.942634
C 0.689671 -2.084687 -0.329453
C 0.624761 -0.035862 1.169106
C 1.693831 0.116611 -1.150946
C -0.982012 -0.400895 -2.414746
C 2.044891 -2.610293 0.109793
C 1.754366 2.090723 0.420625
C -3.459977 0.871476 -0.260684
C 2.270657 -3.275792 1.269276
C -4.881188 0.397712 -0.138435
C -5.740626 0.813966 0.826343
H -0.788849 1.102162 -0.845425
H 0.496449 -2.416849 -1.364573
H -0.103536 -2.488981 0.323096
H -1.091236 -1.492303 -2.521673
H -1.910251 0.060289 -2.796636
H -0.146047 -0.069020 -3.056130
H 0.930802 1.709565 2.277082
H 2.690039 1.930331 -1.419219
H 2.872679 -2.444416 -0.594480
H -3.233150 1.687090 0.444666
H -3.237671 1.195502 -1.293316
H 3.267498 -3.652539 1.526319
H 1.467907 -3.449017 1.995634
H -5.209345 -0.337868 -0.885768
H -6.770765 0.444722 0.872516
H -5.436767 1.533357 1.596731


