%chk=000016684.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016684

0 1
 S    1.801800      0.9939000     -0.1457000    
 O    1.701800       1.210800      -1.577500    
 O    2.921300       1.538800      0.5997000    
 O   0.3367000      -2.623400      0.1406000    
 N    1.672000     -0.6983000      0.1560000    
 N   0.3702000       1.534800      0.6062000    
 C  -0.8198000      0.8184000      0.2482000    
 C  -0.8194000     -0.5700000      5.9300002E-02
 C   0.4120000      -1.400600      0.1207000    
 C    2.945200      -1.465600      2.4300000E-02
 C   -2.028900       1.525500      0.2379000    
 C   -2.033700      -1.223800     -0.2011000    
 C   -3.228800      0.8662000     -2.1900000E-02
 C   -3.230400     -0.5067000     -0.2465000    
 H   0.2466000       2.554300      0.6641000    
 H    3.026100      -1.871900     -0.9879000    
 H    2.953600      -2.287600      0.7466000    
 H    3.818100     -0.8415000      0.2309000    
 H   -2.046000       2.596400      0.4261000    
 H   -2.071600      -2.297400     -0.3691000    
 H   -4.161400       1.422200     -4.2399999E-02
 H   -4.164400      -1.023200     -0.4476000    


%chk=000016684-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000016684

0 1
S 1.867794 1.068938 -0.281242
O 1.751671 1.358931 -1.868957
O 3.139261 1.634927 0.532688
O 0.391479 -2.659878 0.064368
N 1.666738 -0.755383 0.085855
N 0.335994 1.519624 0.657572
C -0.849520 0.844134 0.292274
C -0.825588 -0.558631 0.018374
C 0.412272 -1.390882 0.044685
C 2.927023 -1.526783 0.100032
C -2.082808 1.548045 0.280096
C -2.047862 -1.223833 -0.251397
C -3.285558 0.860214 0.029574
C -3.271975 -0.529547 -0.245038
H 0.286868 2.539411 0.796269
H 3.093808 -2.051018 -0.856715
H 2.867849 -2.272790 0.908754
H 3.759748 -0.834349 0.310007
H -2.093564 2.626657 0.475658
H -2.004958 -2.299721 -0.449252
H -4.231476 1.412187 0.031918
H -4.206196 -1.058952 -0.454624


