%chk=000047206.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047206

0 1
 S   0.3446000      -1.081600     -0.9239000    
 S    4.333100     -0.2794000      0.6304000    
 S    1.331300     -0.9311000       1.886500    
 O   -3.775000      -1.502000      0.4738000    
 O   -1.850200      -2.304600     -0.2254000    
 N    2.932300     -0.5485000     -0.3475000    
 N   -2.597900      -1.346400      7.5999998E-02
 C  -0.7850000      0.2303000     -0.4759000    
 C   -2.087400     -2.1900000E-02 -3.9500002E-02
 C  -0.3288000       1.546400     -0.5731000    
 C   -2.929600       1.037600      0.2983000    
 C   -1.170900       2.605800     -0.2352000    
 C   -2.471300       2.351400      0.2003000    
 C    1.675100     -0.8143000      0.2319000    
 C    3.180600     -0.4567000      -1.792100    
 C    4.199100       1.515000      0.8153000    
 H   0.6783000       1.773900     -0.9143000    
 H   -3.949600      0.8862000      0.6423000    
 H  -0.8147000       3.628800     -0.3124000    
 H   -3.126600       3.176700      0.4629000    
 H    2.566700      0.3472000      -2.209500    
 H    2.904300      -1.404900      -2.263300    
 H    4.231400     -0.2490000      -2.017700    
 H    4.246900       2.001500     -0.1626000    
 H    5.029100       1.878100       1.426700    
 H    3.260400       1.786800       1.304700    


%chk=000047206-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047206

0 1
S 0.451669 -0.463281 -0.985485
S 4.575952 -0.395507 0.680571
S 1.658085 0.786232 1.687271
O -3.588979 -1.912262 0.037564
O -1.834198 -1.968119 -1.422837
N 3.061934 -0.431895 -0.333100
N -2.575320 -1.365918 -0.548532
C -0.943614 0.567056 -0.393290
C -2.251904 0.037110 -0.219402
C -0.746370 1.941785 -0.116221
C -3.318821 0.836736 0.255874
C -1.810032 2.749856 0.335060
C -3.097624 2.196495 0.533282
C 1.871780 0.025299 0.192305
C 3.188719 -1.098721 -1.656740
C 5.002502 1.437911 0.583158
H 0.245937 2.376823 -0.254231
H -4.298682 0.369902 0.386793
H -1.630458 3.811924 0.530519
H -3.922160 2.822646 0.887764
H 2.745697 -0.471101 -2.449875
H 2.683455 -2.082255 -1.656396
H 4.258206 -1.246356 -1.862176
H 5.123676 1.745246 -0.465732
H 5.960893 1.541079 1.119868
H 4.215856 2.014615 1.090688


