%chk=000041694.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041694

0 1
 S   -4.209400       1.150600     -2.7600000E-02
 O   -3.333600       2.288400      0.1734000    
 O   -5.554100       1.144300      0.5158000    
 O    5.005100       1.740500      0.4473000    
 N  -2.7400000E-02  -1.826100      0.1203000    
 N   -3.420000     -0.2813000      0.4636000    
 N    4.206300       1.748200     -0.5000000    
 C   -1.264500      -1.423700      0.7803000    
 C   -2.162300     -0.6722000     -0.1981000    
 C   7.6899998E-02  -3.196400     -0.3627000    
 C    1.028100     -0.9280000     -3.1099999E-02
 C   0.9169000      0.3904000      0.4364000    
 C    2.220100      -1.326500     -0.6550000    
 C   0.6592000      -4.096400      0.6785000    
 C    1.972900       1.288900      0.2834000    
 C    3.276100     -0.4280000     -0.8078000    
 C    3.152500      0.8796000     -0.3387000    
 C   -4.342700      0.8653000      -1.777700    
 C    1.799800       2.682300      0.7997000    
 H   -1.082600     -0.8529000       1.699000    
 H   -1.803300      -2.315700       1.128600    
 H   -2.403700      -1.314700      -1.052900    
 H   -1.655300      0.2152000     -0.5876000    
 H  -0.9313000      -3.563800     -0.5986000    
 H   0.6056000      -3.277100      -1.318200    
 H   -4.024300      -1.079300      0.6999000    
 H   2.0199999E-02  0.7520000      0.9291000    
 H    2.387600      -2.331300      -1.027600    
 H    1.681500      -3.808100      0.9432000    
 H   6.6299997E-02  -4.080900       1.599400    
 H   0.6878000      -5.130200      0.3190000    
 H    4.189500     -0.7661000      -1.292500    
 H   -4.862500     -7.9800002E-02  -1.945900    
 H   -4.926800       1.684300      -2.204400    
 H   -3.349300      0.8571000      -2.228000    
 H    1.945000       3.412400     -3.5999999E-03
 H   0.7954000       2.849200       1.204400    
 H    2.512300       2.883200       1.606600    


%chk=000041694-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000041694

0 1
S -3.775157 0.903377 0.142036
O -2.316116 1.635651 0.205984
O -4.668748 0.643340 1.476987
O 5.363309 1.552358 -0.253731
N 0.037883 -1.965181 0.015214
N -3.550617 -0.762995 -0.729682
N 4.143171 1.968756 -0.087962
C -1.354502 -1.587269 0.310204
C -2.122558 -1.109560 -0.956496
C 0.303458 -3.406472 -0.199331
C 1.060893 -1.012890 -0.001765
C 0.771488 0.384640 0.143305
C 2.434417 -1.408951 -0.171757
C 0.704605 -4.157903 1.090716
C 1.783434 1.359810 0.119956
C 3.442893 -0.448623 -0.203607
C 3.143685 0.938468 -0.061809
C -4.826914 1.833569 -1.134224
C 1.428365 2.825837 0.278379
H -1.383072 -0.791951 1.076436
H -1.871232 -2.467816 0.739381
H -2.118645 -1.900085 -1.732325
H -1.616906 -0.227098 -1.385441
H -0.615693 -3.857928 -0.618090
H 1.082407 -3.523854 -0.973447
H -4.039254 -1.428824 -0.096830
H -0.259599 0.733127 0.263883
H 2.701388 -2.465257 -0.263624
H 1.625719 -3.735288 1.527372
H -0.092987 -4.090159 1.852429
H 0.881124 -5.227448 0.873875
H 4.494794 -0.730258 -0.330354
H -5.762302 1.268098 -1.235513
H -4.979894 2.837712 -0.714772
H -4.241212 1.847817 -2.062313
H 1.812383 3.421549 -0.567601
H 0.335272 2.957052 0.349165
H 1.896718 3.248053 1.185255


