%chk=000066672.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066672

0 1
 S    2.193600       2.014600     -0.3050000    
 O    2.009900       2.688700       1.171800    
 O    3.560500       2.275500     -0.7268000    
 O    1.068500       2.417300      -1.131600    
 N  -0.3531000      0.5099000      0.4332000    
 N    4.217500      -2.702500     -0.1025000    
 C   0.8045000     -0.2801000      0.2941000    
 C    2.034700      0.2908000     -4.0899999E-02
 C   -1.722200      0.2436000      0.2236000    
 C    3.167100     -0.5128000     -0.1724000    
 C   0.7134000      -1.659200      0.4967000    
 C    3.072700      -1.889700      3.0400001E-02
 C    1.845700      -2.462800      0.3650000    
 C   -2.686600      0.9114000      0.9785000    
 C   -2.112000     -0.6883000     -0.7383000    
 C   -4.430100     -0.2846000     -0.1903000    
 C   -4.040500      0.6472000      0.7716000    
 C   -3.465900     -0.9524000     -0.9454000    
 C   -5.877700     -0.5667000     -0.4116000    
 H  -0.1752000       1.440800      0.7988000    
 H    4.133200     -8.6999997E-02 -0.4300000    
 H  -0.2217000      -2.133000      0.7826000    
 H    1.760600      -3.533700      0.5310000    
 H   -2.395400       1.639300       1.731400    
 H   -1.384500      -1.205800      -1.357500    
 H   -4.782400       1.175100       1.365000    
 H   -3.757500      -1.675400      -1.702600    
 H   -6.033100      -1.598800     -0.7439000    
 H   -6.451100     -0.4384000      0.5128000    
 H   -6.280500      0.1106000      -1.171200    
 H    5.107500      -2.288500     -0.3457000    
 H    4.149000      -3.700900      4.3900002E-02
 H    2.681900       2.425200       1.843700    


%chk=000066672-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000066672

0 1
S 2.358943 1.995610 -0.279416
O 1.470187 2.571994 1.312279
O 3.936307 2.347224 -0.190304
O 1.493951 2.608414 -1.500843
N -0.293533 0.481743 0.470570
N 4.317694 -2.822496 -0.125660
C 0.803846 -0.353237 0.224758
C 2.106471 0.164808 -0.010447
C -1.661619 0.185361 0.268781
C 3.282851 -0.600985 -0.102607
C 0.744828 -1.779280 0.301270
C 3.186819 -2.012596 -0.017914
C 1.888575 -2.578526 0.174837
C -2.629397 0.910903 1.017631
C -2.116258 -0.768519 -0.681666
C -4.471905 -0.279992 -0.111862
C -4.004883 0.681920 0.821996
C -3.497644 -0.994943 -0.853842
C -5.958011 -0.505972 -0.330392
H -0.062989 1.394675 0.890156
H 4.245006 -0.099382 -0.251972
H -0.219138 -2.249486 0.514196
H 1.785489 -3.667335 0.256111
H -2.295799 1.647288 1.758960
H -1.397491 -1.303697 -1.309895
H -4.730442 1.255107 1.412431
H -3.824142 -1.733745 -1.596285
H -6.157406 -1.503185 -0.760498
H -6.523768 -0.425369 0.615433
H -6.380595 0.243624 -1.028060
H 5.240743 -2.418259 -0.250856
H 4.238382 -3.833677 -0.081166
H 1.475728 3.571410 1.302674


