%chk=000005215.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005215

0 1
 S   0.1398000       2.132200     -0.1283000    
 O  -0.4247000       3.267700      0.5914000    
 O   0.6069000       2.328900      -1.495200    
 N    1.413300       1.473100      0.8269000    
 N   -3.912000      -2.219900     -0.1088000    
 N    1.671000     -0.8093000       1.364100    
 N    2.568500      8.1299998E-02 -0.6873000    
 C   -1.049700      0.8542000     -0.1226000    
 C   -2.026000      0.8146000      0.8730000    
 C   -1.023900     -0.1274000      -1.113400    
 C   -2.950500      -1.187800     -0.1128000    
 C   -2.976300     -0.2065000      0.8778000    
 C   -1.974300      -1.148400      -1.108500    
 C    1.914500      0.1704000      0.4806000    
 C    2.154200      -2.017500       1.007600    
 C    3.024100      -1.154100     -0.9808000    
 C    2.845200      -2.251600     -0.1636000    
 H   -2.061000       1.563800       1.658800    
 H  -0.2730000     -0.1174000      -1.898300    
 H    1.306800       1.603800       1.841400    
 H   -3.731000     -0.2274000       1.659800    
 H   -1.943400      -1.907700      -1.885700    
 H   -4.619000      -2.250200      0.6136000    
 H   -3.892400      -2.932700     -0.8259000    
 H    1.963700      -2.819400       1.712900    
 H    3.554400      -1.240800      -1.923100    
 H    3.221300      -3.231600     -0.4246000    


%chk=000005215-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005215

0 1
S 0.084144 1.826914 0.123265
O -0.355981 3.009259 1.151155
O 0.753830 2.166096 -1.310401
N 1.301421 0.916786 1.204428
N -4.662820 -1.829515 -0.649640
N 3.238784 -0.336301 1.561083
N 1.785239 -0.782968 -0.367328
C -1.344844 0.661276 -0.099828
C -2.404010 0.744013 0.822579
C -1.347989 -0.214356 -1.200242
C -3.562130 -1.002488 -0.466633
C -3.515878 -0.093718 0.635716
C -2.464785 -1.045664 -1.382265
C 2.137599 -0.096712 0.769785
C 4.036897 -1.367521 1.170262
C 2.625504 -1.790518 -0.732323
C 3.778096 -2.135079 0.010059
H -2.362407 1.461496 1.648138
H -0.492502 -0.241689 -1.880233
H 1.606720 1.492742 1.998515
H -4.355809 -0.045500 1.337942
H -2.494018 -1.735981 -2.232935
H -5.449967 -1.801654 -0.007750
H -4.708020 -2.472491 -1.435104
H 4.907372 -1.565004 1.805752
H 2.355089 -2.331795 -1.645919
H 4.436965 -2.949328 -0.299080


