%chk=000047495.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047495

0 1
 S   0.7786000      0.9563000     -0.3061000    
 O   0.7539000       1.591900      0.9967000    
 O    1.108000       1.716800      -1.496400    
 N  -0.6893000      0.1428000     -0.5864000    
 C   -1.429100     -0.4234000      0.5736000    
 C   -2.371700      0.6375000       1.145600    
 C   -2.181400      -1.681600      0.1351000    
 C   -3.557900      0.9329000      0.2278000    
 C   -3.368500      -1.374100     -0.7775000    
 C   -4.303600     -0.3407000     -0.1576000    
 C    1.906300     -0.4162000     -0.2240000    
 C    3.331300      5.1899999E-02  2.6600000E-02
 C    4.301500      -1.126700      7.6899998E-02
 C    5.721900     -0.6674000      0.3658000    
 H  -0.7057000     -0.7154000       1.343900    
 H   -1.840000       1.572500       1.351800    
 H   -2.758000      0.2798000       2.108900    
 H   -2.551900      -2.201000       1.028100    
 H   -1.501600      -2.375400     -0.3744000    
 H   -3.206700       1.440200     -0.6789000    
 H   -4.245900       1.622900      0.7295000    
 H   -3.924400      -2.297800     -0.9759000    
 H   -3.011300      -1.008600      -1.747600    
 H   -4.780300     -0.7679000      0.7332000    
 H   -5.106000     -9.8899998E-02 -0.8637000    
 H  -0.8260000     -0.3219000      -1.492300    
 H    1.836600     -0.9537000      -1.175200    
 H    1.573500      -1.072900      0.5855000    
 H    3.640400      0.7483000     -0.7625000    
 H    3.378000      0.6081000      0.9708000    
 H    4.283300      -1.665000     -0.8779000    
 H    3.989000      -1.833800      0.8542000    
 H    5.779900     -0.1549000       1.331300    
 H    6.399200      -1.526500      0.3961000    
 H    6.077500      1.8600000E-02 -0.4096000    


%chk=000047495-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047495

0 1
S 0.804912 0.571061 0.279420
O 0.808466 0.662409 1.910280
O 0.926761 1.915303 -0.640189
N -0.722176 -0.425277 -0.258487
C -1.759395 -0.502171 0.826499
C -2.612392 0.787216 0.971098
C -2.655032 -1.733940 0.525194
C -3.543655 1.015680 -0.244332
C -3.588743 -1.502282 -0.687305
C -4.438206 -0.219745 -0.509418
C 2.210421 -0.643285 -0.240625
C 3.567408 -0.058526 0.149612
C 4.721783 -0.999463 -0.283382
C 6.100738 -0.437145 0.124311
H -1.201635 -0.674100 1.766333
H -1.948318 1.656946 1.134455
H -3.231575 0.683586 1.884839
H -3.269928 -1.928245 1.427693
H -2.013029 -2.618333 0.361722
H -2.943018 1.238535 -1.152498
H -4.166402 1.913363 -0.069829
H -4.247869 -2.381178 -0.821524
H -2.982457 -1.421742 -1.613002
H -5.126498 -0.357636 0.350311
H -5.070029 -0.051401 -1.402627
H -1.062228 0.123031 -1.076310
H 2.061969 -0.754439 -1.327088
H 1.945506 -1.570740 0.291084
H 3.698546 0.931799 -0.327589
H 3.604270 0.095036 1.244970
H 4.688843 -1.144924 -1.381707
H 4.577563 -1.998755 0.174055
H 6.169645 -0.311803 1.220705
H 6.915876 -1.112772 -0.191891
H 6.279476 0.550633 -0.339376


