%chk=000004153.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004153

0 1
 S    3.462400     -0.8615000      0.6343000    
 O    4.857700      -1.028300      0.2698000    
 O    3.041600      -1.166400       1.989600    
 O   -5.968300     -0.7329000      0.3562000    
 O   -7.144000       1.680300      3.0000001E-04
 N    2.447600      -1.715400     -0.4956000    
 N   -5.759400       1.514500     -0.1423000    
 C    1.038200      -1.534600     -0.3561000    
 C    3.048300      0.8354000      0.3327000    
 C    2.978900      -1.856700      -1.887500    
 C   0.4146000     -0.4345000     -0.9449000    
 C   0.2848000      -2.458200      0.3686000    
 C    2.018900       1.412800       1.051400    
 C    3.764000       1.542600     -0.6146000    
 C   -1.715700      -1.181300     -8.4299996E-02
 C  -0.9623000     -0.2578000     -0.8089000    
 C   -1.092200      -2.281500      0.5045000    
 C    1.692700       2.747900      0.8137000    
 C    3.437700       2.877800     -0.8521000    
 C    2.402000       3.480500     -0.1380000    
 C   -3.151700     -0.9974000      5.6699999E-02
 C   -3.809700      0.1707000     -0.1172000    
 C   -5.286100      0.2438000      6.3800000E-02
 H    3.964300      -2.330600      -1.863100    
 H    3.050100     -0.8842000      -2.381600    
 H    2.321100      -2.505500      -2.475400    
 H   0.9729000      0.2793000      -1.543900    
 H   0.7616000      -3.318400      0.8314000    
 H    1.454600      0.8608000       1.796500    
 H    4.568100       1.088900      -1.185200    
 H   -1.407600      0.5987000      -1.306700    
 H   -1.662700      -3.011100       1.074200    
 H   0.8857000       3.216900       1.368900    
 H    3.988600       3.447800      -1.594500    
 H    2.147400       4.519800     -0.3236000    
 H   -3.710700      -1.888200      0.3353000    
 H   -3.299800       1.094300     -0.3683000    
 H   -5.233000       2.317500     -0.4674000    
 H   -7.184700       2.003500      0.9164000    


%chk=000004153-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000004153

0 1
S 3.550656 -1.108803 0.460142
O 5.007019 -1.490461 -0.160449
O 3.069477 -1.622920 1.924284
O -5.969896 -0.082617 1.351942
O -7.762256 1.150281 -0.105349
N 2.210968 -1.851267 -0.894403
N -6.438471 0.960954 -0.617403
C 0.880059 -1.465838 -0.605683
C 3.384391 0.777432 0.425964
C 2.776270 -1.585609 -2.233937
C 0.068243 -0.718865 -1.517670
C 0.298338 -1.904104 0.625020
C 2.421470 1.375177 1.257472
C 4.234871 1.492357 -0.434987
C -1.855293 -0.850330 0.019754
C -1.270977 -0.435565 -1.213996
C -1.032597 -1.586006 0.927386
C 2.303765 2.783741 1.209856
C 4.101778 2.900036 -0.463542
C 3.137136 3.539671 0.351177
C -3.241306 -0.569667 0.394251
C -4.188324 0.092403 -0.343659
C -5.541389 0.294735 0.196547
H 3.842675 -1.865228 -2.214172
H 2.682286 -0.535849 -2.587087
H 2.261066 -2.250165 -2.951084
H 0.483460 -0.379942 -2.471781
H 0.905921 -2.494250 1.315936
H 1.808806 0.767102 1.930128
H 4.991257 0.969363 -1.029441
H -1.868888 0.125653 -1.940971
H -1.463808 -1.928973 1.875440
H 1.567713 3.285200 1.846491
H 4.755016 3.492235 -1.112724
H 3.041935 4.630491 0.324772
H -3.568889 -0.926591 1.381376
H -3.974312 0.485541 -1.346097
H -6.331185 1.312758 -1.566386
H -7.661085 0.707220 0.805983


