%chk=000019712.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019712

0 1
 S  -0.9631000     -0.3203000     -0.6480000    
 S    1.925000      0.2050000      -1.194300    
 S    5.415600      0.3727000      -1.280800    
 P    3.799100      0.1625000     -0.1897000    
 O    3.701200       1.225200       1.047500    
 O    3.784700      -1.240900      0.6501000    
 O   -3.880600      0.2920000      0.1383000    
 O   -5.975800     -0.6418000     -5.6899998E-02
 N   -5.609000       1.577000     -0.5358000    
 C   -1.865200     -0.8364000      0.8318000    
 C   0.7079000     -0.2868000      5.2900001E-02
 C   -3.355900     -0.9606000      0.5581000    
 C    3.681900       2.619500      0.7917000    
 C    3.854400      -2.487400     -2.2500001E-02
 C   -5.220100      0.3204000     -0.1426000    
 H   -1.472900      -1.796200       1.181800    
 H   -1.699000     -8.2099997E-02   1.607800    
 H   0.7461000      0.4268000      0.8804000    
 H   0.9646000      -1.281700      0.4254000    
 H   -3.862100      -1.271000       1.480100    
 H   -3.542200      -1.719500     -0.2121000    
 H    4.697800       2.973500      0.6006000    
 H    3.291300       3.129600       1.675700    
 H    3.040400       2.851400     -6.1799999E-02
 H    3.417700      -3.254400      0.6221000    
 H    4.900200      -2.740800     -0.2131000    
 H    3.302700      -2.463100     -0.9651000    
 H   -4.945400       2.342200     -0.5912000    
 H   -6.571900       1.778900     -0.7831000    


%chk=000019712-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000019712

0 1
S -0.913833 -1.153805 -1.530771
S 2.187662 -0.495630 -2.155861
S 4.554339 1.331809 -0.054096
P 2.828702 0.205828 -0.070653
O 1.387784 0.870624 0.634398
O 2.756489 -1.240892 0.894695
O -2.597291 0.724995 0.417087
O -4.693161 0.739881 1.502299
N -3.867484 2.611250 0.343936
C -1.074216 -1.168039 0.368624
C 0.834745 -1.778478 -1.705505
C -2.462404 -0.707122 0.786087
C 0.857591 2.118043 0.034006
C 4.032916 -1.931861 1.189547
C -3.814773 1.318655 0.817322
H -0.926035 -2.208159 0.707346
H -0.287445 -0.520087 0.785065
H 1.154749 -2.293133 -0.786543
H 0.862713 -2.473754 -2.558394
H -2.585855 -0.808272 1.880476
H -3.268661 -1.282216 0.294493
H 1.577186 2.943988 0.174164
H -0.073976 2.307086 0.586980
H 0.633979 1.965922 -1.037853
H 3.751143 -2.732317 1.889286
H 4.752885 -1.240285 1.661006
H 4.471398 -2.360858 0.270282
H -3.126825 2.975982 -0.249692
H -4.684921 3.174546 0.559568


