%chk=000130981.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130981

0 1
 S    3.002900     -0.6536000      0.2020000    
 O    2.065800       2.207900      0.2325000    
 O    3.602300      7.0200004E-02   1.312900    
 O    2.986200      -2.109000      0.2094000    
 N   -4.166500     -0.5311000      0.2914000    
 C  -0.9928000     -0.5665000     -0.3519000    
 C   -1.281800      0.8106000     -0.3143000    
 C   -2.071600      -1.597100     -0.5792000    
 C   -2.686400       1.331300     -0.4980000    
 C   -3.166000      -1.576700      0.4904000    
 C   -3.667700      0.8157000      0.5573000    
 C   0.3367000     -0.9928000     -0.1928000    
 C    1.364800     -7.2300002E-02  6.0000001E-03
 C  -0.2338000       1.726300     -0.1188000    
 C    1.079700       1.287400      4.2900000E-02
 C    3.828100     -0.1503000      -1.290000    
 H   -2.496400      -1.463700      -1.582400    
 H   -1.624300      -2.599600     -0.5801000    
 H   -2.678700       2.427600     -0.4400000    
 H   -3.033300       1.092400      -1.511500    
 H   -3.698800      -2.533600      0.4288000    
 H   -2.740200      -1.525600       1.500400    
 H   -3.245300      0.8857000       1.567500    
 H   -4.540500       1.480000      0.5416000    
 H   0.5508000      -2.058000     -0.2292000    
 H   -4.948800     -0.7128000      0.9209000    
 H  -0.4502000       2.792400     -9.2399999E-02
 H    3.833000      0.9382000      -1.358700    
 H    4.855200     -0.5197000      -1.246900    
 H    3.312700     -0.5914000      -2.145400    
 H    1.676600       3.099100      0.2264000    


%chk=000130981-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000130981

0 1
S 3.056542 -0.753414 0.170629
O 2.139783 2.208605 -0.034293
O 3.641203 -0.228193 1.600171
O 2.923729 -2.363343 -0.115818
N -4.216049 -0.527943 0.408284
C -1.060662 -0.581741 -0.402559
C -1.348271 0.818413 -0.377060
C -2.159483 -1.624854 -0.549425
C -2.775685 1.333195 -0.491621
C -3.225738 -1.612001 0.579817
C -3.731200 0.848251 0.634939
C 0.285421 -0.997965 -0.278840
C 1.316654 -0.057358 -0.137466
C -0.288840 1.748300 -0.249853
C 1.054349 1.324579 -0.123989
C 4.132201 -0.005087 -1.218962
H -2.702662 -1.488844 -1.506132
H -1.693796 -2.626999 -0.575953
H -2.762923 2.439251 -0.485296
H -3.226510 1.012718 -1.451879
H -3.779080 -2.568821 0.541379
H -2.700095 -1.569357 1.565634
H -3.213872 0.973392 1.618679
H -4.616883 1.510876 0.640868
H 0.557772 -2.060702 -0.283570
H -5.082704 -0.717112 0.925139
H -0.514372 2.823396 -0.252617
H 4.065533 1.084116 -1.099979
H 5.141647 -0.397169 -1.031425
H 3.714820 -0.365930 -2.168928
H 1.840870 3.132740 0.148927


