%chk=000099872.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099872

0 1
 S   0.7715000      -1.790700      0.2511000    
 O   0.5184000      -1.981800       1.666200    
 O    1.504800      -2.787700     -0.5050000    
 O   -4.829800      0.3866000     -0.3644000    
 O   -3.207000       1.800600      0.4443000    
 N  -0.6974000      -1.462000     -0.5444000    
 N   -1.518900     -0.4110000      2.8999999E-02
 C    1.618800     -0.2476000      8.3800003E-02
 C    1.462000      0.7183000       1.062400    
 C    2.422400     -3.5100002E-02  -1.022600    
 C    2.129900       1.935700      0.9301000    
 C    3.090300       1.182300      -1.154700    
 C    2.944100       2.167700     -0.1783000    
 C   -2.631600     -0.2581000     -0.5955000    
 C   -3.577600      0.7827000     -0.1020000    
 H   0.8280000      0.5605000       1.929400    
 H    2.542700     -0.7870000      -1.796300    
 H    2.014700       2.703800       1.689300    
 H    3.722900       1.363900      -2.018800    
 H  -0.8258000      -1.699300      -1.535400    
 H    3.463400       3.115900     -0.2817000    
 H   -2.948000     -0.8259000      -1.486800    
 H   -5.497500       1.036500     -5.7900000E-02


%chk=000099872-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099872

0 1
S 0.877031 -1.853123 0.189383
O 0.564135 -2.178268 1.742668
O 1.569921 -2.935207 -0.802306
O -4.842857 0.765150 -0.488662
O -3.138840 1.568168 0.893662
N -0.770990 -1.521214 -0.722290
N -1.544016 -0.580399 -0.204075
C 1.703182 -0.171177 0.041300
C 1.353936 0.818355 0.974496
C 2.639463 -0.006348 -0.991946
C 2.000381 2.070106 0.850934
C 3.276143 1.252362 -1.087798
C 2.954064 2.283070 -0.172639
C -2.789103 -0.368429 -0.586532
C -3.531877 0.742970 0.038111
H 0.613616 0.625790 1.755846
H 2.869286 -0.829004 -1.676735
H 1.751710 2.874012 1.550609
H 4.019587 1.423392 -1.872850
H -1.068003 -2.315800 -1.318661
H 3.450173 3.255856 -0.256693
H -3.312176 -0.963072 -1.351009
H -5.344464 1.511110 -0.063012


