%chk=000086169.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086169

0 1
 S  -0.1965000      -1.721400      -1.267700    
 O   -3.462900      -2.132400       1.832100    
 O   -3.623000       1.248800      0.1118000    
 O   -5.076400      0.9415000      -1.645200    
 N   -2.559600      -1.108500     -8.6400002E-02
 C   -1.165000     -0.7261000     -5.4299999E-02
 C   -1.091600      -1.316300       1.358700    
 C   -2.583000      -1.638500       1.165000    
 C   -3.589000     -0.8424000      -1.041400    
 C    1.422100      -1.200400     -0.7328000    
 C   -4.185600      0.5386000     -0.9043000    
 C    1.771600      0.1496000     -0.7781000    
 C    3.042900      0.5752000     -0.3596000    
 C    2.336600      -2.141600     -0.2690000    
 C    3.972700     -0.3817000      0.1118000    
 C    3.603900      -1.736300      0.1508000    
 C    3.411700       1.929800     -0.3982000    
 C    5.243800      4.3900002E-02  0.5308000    
 C   -4.136200       2.571200      0.3047000    
 C    4.679000       2.335000      2.1700000E-02
 C    5.593400       1.393800      0.4854000    
 C   -3.408900       3.218100       1.464200    
 H   -1.027400      0.3577000     -0.1161000    
 H  -0.9018000     -0.5890000       2.153400    
 H  -0.4766000      -2.205900       1.520800    
 H   -3.172100     -0.9509000      -2.046000    
 H   -4.392800      -1.567600     -0.8814000    
 H    1.062700      0.8864000      -1.152500    
 H    2.081500      -3.197600     -0.2255000    
 H    4.302600      -2.489100      0.5098000    
 H    2.713200       2.683200     -0.7565000    
 H    5.974400     -0.6744000      0.8970000    
 H   -3.978700       3.160100     -0.6057000    
 H   -5.208500       2.518300      0.5235000    
 H    4.951500       3.385700     -1.3500000E-02
 H    6.579800       1.709800      0.8122000    
 H   -3.776400       4.232900       1.639800    
 H   -3.542000       2.630100       2.378400    
 H   -2.332400       3.260300       1.268100    


%chk=000086169-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000086169

0 1
S -0.205174 -2.797023 -0.266068
O -4.933337 -2.122440 0.181703
O -2.257773 1.307761 0.425591
O -1.727031 1.864202 -1.774532
N -2.687035 -1.312488 -0.229012
C -1.596451 -1.838128 0.623464
C -2.666354 -2.744279 1.327517
C -3.703408 -2.075208 0.377759
C -2.703873 -0.342581 -1.300546
C 1.158120 -1.552172 -0.164122
C -2.178378 1.051854 -0.932896
C 1.083200 -0.338102 -0.851282
C 2.135950 0.629613 -0.745279
C 2.311104 -1.866535 0.626587
C 3.303717 0.316163 0.053889
C 3.362679 -0.952422 0.721644
C 2.062820 1.897035 -1.415692
C 4.359554 1.281833 0.148444
C -1.769063 2.657716 0.870132
C 3.108171 2.816750 -1.302861
C 4.265079 2.506880 -0.516615
C -1.925578 2.704492 2.385168
H -1.103268 -1.072390 1.242098
H -2.824882 -2.539208 2.397500
H -2.537188 -3.825653 1.165088
H -2.111903 -0.688782 -2.169636
H -3.752624 -0.240268 -1.641119
H 0.230265 -0.112592 -1.499396
H 2.350543 -2.824731 1.153800
H 4.246142 -1.196777 1.323312
H 1.172620 2.131317 -2.011781
H 5.244626 1.044910 0.750939
H -0.718776 2.764227 0.543874
H -2.374467 3.423827 0.353730
H 3.048007 3.782061 -1.817208
H 5.077002 3.238408 -0.440254
H -1.593065 3.688945 2.761600
H -2.978849 2.558413 2.678865
H -1.314123 1.925272 2.871398


