%chk=000005774.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005774

1 1
 S   0.6378000     -0.9423000     -0.2212000    
 S    4.856300      -1.145100       1.925800    
 O   0.5821000       3.704800     -5.8300000E-02
 O   -3.060900       2.888300      0.3072000    
 O   -1.819900       2.832000       2.227200    
 O    3.974600      0.6651000      -2.350400    
 N  -0.3163000       1.532300     -0.2422000    
 N    2.729700       1.289700     -0.4942000    
 N   -4.058300      -1.081800      0.4351000    
 C   0.3247000      0.5856000      -1.133900    
 C    1.491500       1.596400      -1.208800    
 C   0.5441000       2.555000     -0.4291000    
 C   -1.436000       1.268600      0.4783000    
 C   -1.880000      8.9999998E-04  0.6402000    
 C   -1.131800      -1.227100      0.1275000    
 C   -3.155600     -0.3741000       1.356300    
 C   -2.103800       2.407500       1.125100    
 C    3.882500      0.8436000      -1.136900    
 C    5.048500      0.6056000     -0.1984000    
 C   -3.968800      -2.411100      0.3547000    
 C   -4.926900     -0.3634000     -0.2796000    
 C    5.022900     -0.8245000      0.2638000    
 C   -4.807800      -3.105200     -0.5054000    
 C   -5.790300      -1.004300      -1.156600    
 C   -5.726800      -2.390000      -1.267200    
 C    5.120100      -1.948900     -0.5001000    
 C    5.055900      -3.125300      0.3014000    
 C    4.912800      -2.832300       1.639700    
 H  -0.2137000      0.4581000      -2.080500    
 H    1.683900       1.960500      -2.225800    
 H   -1.596700      -1.598000     -0.7911000    
 H   -1.147500      -2.020700      0.8803000    
 H    2.762300       1.390400      0.5177000    
 H   -3.701400      0.4849000       1.761400    
 H   -2.943500      -1.028800       2.210500    
 H    5.978000      0.8046000     -0.7448000    
 H    5.008800       1.318300      0.6332000    
 H   -3.254200      -2.920200      0.9893000    
 H   -4.927000      0.7117000     -0.1496000    
 H   -3.535100       3.651100      0.7019000    
 H   -4.752600      -4.186000     -0.5780000    
 H   -6.502200     -0.4354000      -1.745000    
 H   -6.394300      -2.912500      -1.946000    
 H    5.233700      -1.949600      -1.576500    
 H    5.112300      -4.135000     -8.4100001E-02
 H    4.838600      -3.528500       2.463300    


%chk=000005774-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005774

1 1
S 0.488281 -1.315945 -0.956768
S 5.939398 0.546363 1.452972
O 1.169481 2.426287 1.457073
O -1.722392 2.949128 1.378931
O -2.751772 1.285173 2.626739
O 3.787768 1.887554 -2.581889
N -0.325836 1.183825 -0.056482
N 2.917572 0.757116 -0.747978
N -4.399679 -1.373796 0.184336
C 0.346458 0.550456 -1.217003
C 1.638534 1.393772 -0.888564
C 0.895825 1.844040 0.408192
C -1.465648 0.715843 0.600196
C -2.006957 -0.525961 0.296256
C -1.403535 -1.446709 -0.755472
C -3.178943 -1.090892 1.064998
C -2.040896 1.635644 1.651987
C 3.957645 1.084800 -1.621870
C 5.303324 0.382956 -1.361304
C -5.093102 -2.549975 0.338407
C -4.830691 -0.413641 -0.699002
C 5.444714 -0.341680 -0.049533
C -6.256567 -2.796684 -0.405388
C -5.990465 -0.614260 -1.460753
C -6.717798 -1.819819 -1.318172
C 5.264807 -1.693162 0.225056
C 5.501346 -2.053098 1.603372
C 5.866010 -0.977175 2.395545
H -0.142478 0.744618 -2.183134
H 1.766753 2.217112 -1.619346
H -1.832765 -1.269840 -1.759528
H -1.588687 -2.503980 -0.497029
H 3.120165 0.129431 0.036691
H -3.500578 -0.411874 1.874224
H -2.904121 -2.060317 1.518718
H 5.449048 -0.331984 -2.193760
H 6.081375 1.155626 -1.495307
H -4.696249 -3.264033 1.063483
H -4.222183 0.491612 -0.763053
H -2.012777 3.550561 2.117851
H -6.786876 -3.741417 -0.265378
H -6.314397 0.167344 -2.151855
H -7.624000 -1.993640 -1.905150
H 4.991771 -2.417880 -0.547520
H 5.416852 -3.072421 1.986741
H 6.111965 -0.954175 3.455669


