%chk=000052931.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052931

0 1
 S  -0.3723000       2.482000     -0.1223000    
 O    1.543500     -0.5209000      0.1424000    
 O   -3.493500      -2.525900     -4.2399999E-02
 O   -1.320000       3.581700     -0.2150000    
 O   0.6058000       2.453900      0.9542000    
 O   0.8446000      6.3100003E-02   2.247100    
 N   0.4448000       2.326900      -1.613800    
 C    3.792000     -0.9512000     -0.5591000    
 C   -1.275800      0.9828000     -8.5000001E-02
 C  -0.7475000     -0.1730000      0.4815000    
 C    5.254100      -1.036500     -0.1304000    
 C    2.886800     -0.5680000      0.6030000    
 C   -1.486500      -1.352200      0.4985000    
 C   -2.555300      0.9595000     -0.6398000    
 C   0.5911000     -0.1873000       1.073400    
 C   -2.766000      -1.375500     -5.6499999E-02
 C    6.149000      -1.461400      -1.283600    
 C   -3.300400     -0.2196000     -0.6256000    
 C   -4.794300      -2.478500     -0.6266000    
 H    3.674800     -0.2200000      -1.368800    
 H    3.461100      -1.912000     -0.9732000    
 H    5.360900      -1.756500      0.6893000    
 H    5.588600     -6.3100003E-02  0.2469000    
 H    2.970900      -1.310600       1.405000    
 H    3.173700      0.4158000      0.9926000    
 H   -1.074600      -2.256000      0.9410000    
 H   -2.990700       1.844200      -1.096100    
 H    5.861300      -2.447900      -1.660800    
 H    6.089400     -0.7463000      -2.110300    
 H    7.191600      -1.514400     -0.9547000    
 H   -4.286100     -0.1680000      -1.075300    
 H   0.1453000       2.932400      -2.387700    
 H    1.457400       2.155300      -1.587400    
 H   -5.452600      -1.788500     -8.7899998E-02
 H   -5.229700      -3.478300     -0.5274000    
 H   -4.746400      -2.255700      -1.697900    


%chk=000052931-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052931

0 1
S 0.211190 1.772342 -0.840946
O 1.539981 -0.840688 -0.096243
O -4.254643 -2.141056 0.492210
O -0.588232 3.050325 -1.457562
O 1.190938 2.014754 0.437378
O 0.647338 -1.998143 1.712685
N 1.037278 1.037461 -2.286938
C 3.916935 -0.395542 -0.460976
C -1.097190 0.443648 -0.461831
C -0.844772 -0.764047 0.238109
C 5.371383 -0.633331 0.013566
C 2.915368 -1.122728 0.434617
C -1.950000 -1.588312 0.541867
C -2.388277 0.815008 -0.860916
C 0.488578 -1.258362 0.714819
C -3.259887 -1.232595 0.137740
C 6.404029 0.078712 -0.885763
C -3.483016 -0.025991 -0.572174
C -5.639310 -1.824959 0.118011
H 3.691735 0.687918 -0.445464
H 3.814444 -0.753038 -1.506241
H 5.582923 -1.721709 0.032080
H 5.479067 -0.273673 1.056403
H 3.061188 -2.218228 0.433631
H 2.951578 -0.760200 1.477118
H -1.790088 -2.513964 1.101927
H -2.526755 1.770324 -1.378991
H 6.346967 -0.289932 -1.927255
H 6.227688 1.170246 -0.903411
H 7.434012 -0.091287 -0.523751
H -4.484985 0.272018 -0.891878
H 1.485173 1.788676 -2.834867
H 1.664009 0.281530 -1.969581
H -5.976373 -0.884796 0.594494
H -6.234145 -2.668176 0.496243
H -5.749126 -1.751903 -0.980809


