%chk=000030993.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030993

0 1
 S    1.430700      0.2972000      0.4923000    
 O   -2.039900       1.521100      0.8319000    
 O   -1.738000      0.8625000      -1.317800    
 N   -2.079300      -1.748600     -1.9000000E-03
 C   -1.169500     -0.6921000      0.4456000    
 C   0.2573000      -1.001700     -1.1200000E-02
 C    2.912900     -0.3794000     -0.2878000    
 C   -1.681300      0.6205000     -0.1177000    
 C    4.107100      0.5205000     -3.3399999E-02
 H   -1.205200     -0.6487000       1.541000    
 H   0.5912000      -1.953700      0.4168000    
 H   0.2963000      -1.086400      -1.103600    
 H    3.112800      -1.376500      0.1170000    
 H    2.746700     -0.4697000      -1.365900    
 H   -3.006100      -1.590900      0.3928000    
 H   -1.765300      -2.647100      0.3630000    
 H    3.951700       1.522500     -0.4477000    
 H    4.319100      0.6152000       1.037200    
 H    4.998700      0.1003000     -0.5107000    
 H   -2.350700       2.364000      0.4380000    


%chk=000030993-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000030993

0 1
S 1.795120 -0.727345 1.103475
O -2.196455 1.320833 0.086592
O -0.290403 0.895110 -1.162890
N -2.220294 -1.505767 0.280783
C -1.020813 -0.704355 0.621579
C 0.252558 -1.526292 0.350859
C 2.708840 -0.166061 -0.470842
C -1.070997 0.552923 -0.252748
C 3.953892 0.632470 -0.061173
H -0.999330 -0.356519 1.681710
H 0.153526 -2.522639 0.815249
H 0.410530 -1.652728 -0.732013
H 2.982217 -1.072006 -1.038795
H 1.998287 0.438965 -1.054928
H -3.100808 -0.990200 0.376194
H -2.242271 -2.422626 0.736951
H 3.677654 1.536315 0.510438
H 4.638867 0.026799 0.559380
H 4.506248 0.954737 -0.963486
H -2.247170 2.117387 -0.508435


