%chk=000065966.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065966

0 1
 S    2.703800      -1.025800       1.389700    
 O   -2.578000      -2.238700     -0.9461000    
 O   -4.581700      0.7637000     -0.1470000    
 O   -2.192200       2.836200       2.077100    
 O    3.382200      -2.289600       1.647000    
 O    2.479800     -8.9800000E-02   2.482600    
 N   -1.779800       1.714500      4.8900001E-02
 C   -2.250100      0.3816000      0.3583000    
 C   -3.429100      3.1300001E-02 -0.5573000    
 C   -3.731400      -1.479900     -0.5395000    
 C   -1.151000     -0.6445000      0.2399000    
 C   -1.127000       2.014400      -1.203300    
 C   -1.377600      -1.870400     -0.3991000    
 C   -1.139700       3.529400      -1.243600    
 C   -1.773400       2.793200      0.9301000    
 C   -1.080400       3.935100      0.2241000    
 C   -4.820000      -1.797500      -1.580100    
 C   -4.222200      -1.995400      0.8255000    
 C   0.1137000     -0.4076000      0.8042000    
 C  -0.3469000      -2.808300     -0.5237000    
 C    1.136800      -1.350300      0.6914000    
 C   0.9085000      -2.547600      2.0400001E-02
 C    3.702600     -0.2085000      0.1744000    
 C    3.683300       1.171500      0.1083000    
 C    4.477600     -0.9700000     -0.6790000    
 C    4.469300       1.814600     -0.8480000    
 C    5.263600     -0.3269000      -1.635300    
 C    5.259400       1.065400      -1.719800    
 H   -2.595200      0.3872000       1.400400    
 H   -3.218600      0.3124000      -1.595000    
 H   -1.644700       1.591000      -2.065700    
 H  -9.9100001E-02   1.639200      -1.173600    
 H   -2.083500       3.880600      -1.679700    
 H  -0.3201000       3.946900      -1.835000    
 H   -1.596300       4.880700      0.4065000    
 H  -4.7499999E-02   3.993600      0.5814000    
 H   -5.767300      -1.299000      -1.350400    
 H   -4.500600      -1.491400      -2.583100    
 H   -5.003600      -2.877000      -1.634800    
 H   -5.147900      -1.501200       1.137800    
 H   -4.407200      -3.075300      0.7842000    
 H   -3.475700      -1.849600       1.612600    
 H   0.2940000      0.5283000       1.327700    
 H   -4.353400       1.708200     -0.1837000    
 H  -0.5214000      -3.751200      -1.035800    
 H    1.691900      -3.292100     -8.8799998E-02
 H    3.068500       1.770500      0.7727000    
 H    4.488000      -2.054500     -0.6367000    
 H    4.464200       2.898600     -0.9154000    
 H    5.876900     -0.9102000      -2.315900    
 H    5.870400       1.566100      -2.465200    


%chk=000065966-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000065966

0 1
S 2.781002 -1.161008 1.380003
O -2.661325 -2.191308 -1.054979
O -4.711066 0.732636 0.075503
O -3.353059 2.874679 1.269452
O 3.459090 -2.641008 1.560560
O 2.538020 -0.113512 2.618361
N -1.775280 1.748089 -0.056020
C -2.260221 0.393561 0.328908
C -3.548695 0.041494 -0.468306
C -3.861138 -1.480125 -0.448797
C -1.167488 -0.659255 0.184455
C -0.731654 2.035914 -1.070876
C -1.418077 -1.877106 -0.512427
C -0.886178 3.567005 -1.316307
C -2.347674 2.885072 0.484954
C -1.587070 4.101808 -0.038451
C -5.014917 -1.806143 -1.397983
C -4.099834 -2.025740 0.969782
C 0.110689 -0.460561 0.755370
C -0.394130 -2.844644 -0.685333
C 1.101907 -1.430238 0.564723
C 0.884951 -2.625285 -0.145650
C 3.837168 -0.229816 0.100103
C 3.874685 1.170967 0.179231
C 4.585562 -0.984701 -0.816156
C 4.693032 1.858181 -0.748141
C 5.396419 -0.280205 -1.737004
C 5.443423 1.134077 -1.705302
H -2.554984 0.480077 1.397015
H -3.392371 0.336881 -1.530115
H -0.900504 1.439229 -1.985271
H 0.273640 1.779465 -0.687372
H -1.530322 3.742127 -2.195462
H 0.087229 4.046734 -1.506853
H -2.278234 4.938227 -0.224618
H -0.862652 4.429968 0.730912
H -5.914251 -1.255673 -1.076425
H -4.766487 -1.503620 -2.430212
H -5.226763 -2.889071 -1.391774
H -4.947437 -1.484790 1.422264
H -4.339931 -3.101429 0.925320
H -3.218500 -1.896383 1.622570
H 0.321683 0.426453 1.364656
H -4.414445 1.518620 0.630848
H -0.635227 -3.766131 -1.222676
H 1.680096 -3.373250 -0.227320
H 3.314620 1.692077 0.963311
H 4.558060 -2.079052 -0.787102
H 4.755203 2.951008 -0.713225
H 5.996251 -0.834364 -2.466443
H 6.079085 1.671969 -2.417099


