%chk=000005338.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005338

0 1
 S    1.802200      -2.027700     -0.5440000    
 O    3.005800      -2.770300     -0.2194000    
 O    1.210700      -2.154800      -1.862100    
 N   0.6121000      -2.325900      0.6673000    
 N   -1.045200      -1.052200     -0.4388000    
 N   -2.171100     -0.3284000       1.996000    
 N    3.033700       3.721200      0.3462000    
 C    2.168500     -0.3165000     -0.2790000    
 C  -0.5340000      -1.481300      0.7291000    
 C    3.178200      2.7500000E-02  0.6014000    
 C    1.437700      0.6419000     -0.9575000    
 C   -2.127200     -0.2552000     -0.3935000    
 C   -2.697400      0.1112000      0.8394000    
 C    3.466900       1.376000      0.8106000    
 C    1.726500       1.990400     -0.7483000    
 C    2.741200       2.357500      0.1357000    
 C   -1.088900      -1.124600       1.929100    
 C   -2.698800      0.2190000      -1.571800    
 C   -3.818200      0.9384000      0.8483000    
 C   -3.820300       1.046300      -1.552000    
 C   -4.382400       1.407500     -0.3366000    
 H   0.9396000      -2.706700       1.564300    
 H    3.748700     -0.7209000       1.142300    
 H   0.6703000      0.3855000      -1.679100    
 H    4.258700       1.649500       1.503300    
 H    1.159200       2.745700      -1.286300    
 H  -0.6921000      -1.458300       2.880400    
 H   -2.267100     -5.6100000E-02  -2.532200    
 H   -4.269300       1.229800       1.794700    
 H   -4.249900       1.405000      -2.482300    
 H   -5.256100       2.051400     -0.3072000    
 H    2.506400       4.433000     -0.1416000    
 H    3.768100       3.988100      0.9882000    


%chk=000005338-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000005338

0 1
S 1.829347 -1.829807 -0.193896
O 2.952750 -2.754101 0.541565
O 1.228008 -2.235565 -1.639120
N 0.491799 -1.902335 1.118956
N -1.042502 -0.509953 -0.011165
N -3.083665 -1.379637 1.821604
N 3.893431 3.847806 -0.318736
C 2.419994 -0.068438 -0.208831
C -0.794251 -1.410520 0.962538
C 3.530597 0.252455 0.593887
C 1.782147 0.863225 -1.047835
C -2.339028 -0.021552 -0.101487
C -3.371608 -0.451220 0.820060
C 4.022218 1.567398 0.555277
C 2.281559 2.174599 -1.083449
C 3.405113 2.548934 -0.281316
C -1.835149 -1.847853 1.885570
C -2.671536 0.921244 -1.121769
C -4.694403 0.067749 0.702552
C -3.976431 1.417356 -1.217272
C -4.993205 0.992552 -0.303925
H 0.694185 -2.673720 1.765434
H 4.004132 -0.517139 1.211884
H 0.913308 0.560900 -1.639052
H 4.888983 1.840867 1.167693
H 1.803009 2.919587 -1.729285
H -1.609604 -2.580277 2.670377
H -1.885919 1.230516 -1.818231
H -5.448852 -0.281149 1.414721
H -4.227432 2.138209 -2.003409
H -6.008071 1.392922 -0.399259
H 3.464647 4.550428 -0.914572
H 4.692930 4.122516 0.245090


