%chk=000016589.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016589

0 1
 S    3.313800     -4.0899999E-02 -0.2157000    
 O   -2.474100     -1.5699999E-02  0.9575000    
 O    3.975500      0.7353000      0.8196000    
 O    3.727300      -1.409800     -0.4777000    
 O   -2.891100      3.5700001E-02  -1.329400    
 N   -4.638300      1.7400000E-02  0.1969000    
 C    1.594000     -3.3300001E-02  0.1324000    
 C   0.9204000       1.177300      0.2950000    
 C   0.9004000      -1.238200      0.2470000    
 C  -0.4466000       1.183300      0.5722000    
 C  -0.4667000      -1.232100      0.5242000    
 C   -1.140100     -2.1400001E-02  0.6868000    
 C    1.630000       2.487200      0.1794000    
 C    1.587800      -2.554200      8.0100000E-02
 C    3.449600      0.8501000      -1.746500    
 C   -3.309800      1.3900000E-02 -0.1757000    
 C   -5.732000      4.5299999E-02 -0.7462000    
 H  -0.9820000       2.121200      0.6989000    
 H   -1.019100      -2.164300      0.6161000    
 H    2.576700       2.541400      0.7142000    
 H    1.745300       2.774500     -0.8682000    
 H    1.021600       3.279600      0.6357000    
 H    1.921300      -2.713400     -0.9499000    
 H    2.373300      -2.706300      0.8269000    
 H   0.8793000      -3.372800      0.2669000    
 H    3.532400       1.920000      -1.567900    
 H    4.370200      0.5179000      -2.234600    
 H    2.602100      0.6076000      -2.389900    
 H   -4.859200     -1.1000000E-03   1.187700    
 H   -5.370000      6.0699999E-02  -1.776800    
 H   -6.329200      0.9390000     -0.5492000    
 H   -6.346500     -0.8431000     -0.5820000    


%chk=000016589-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000016589

0 1
S 3.507121 0.121003 0.105575
O -2.579602 -0.595586 0.045096
O 3.909762 1.335929 1.128743
O 4.254282 -1.321183 0.298223
O -3.415558 1.614684 -0.348632
N -4.803373 -0.250462 -0.003410
C 1.583976 -0.088968 0.054150
C 0.803903 1.094899 -0.051160
C 1.021715 -1.394709 0.156543
C -0.608516 0.961789 -0.064905
C -0.390408 -1.473585 0.136438
C -1.190665 -0.318659 0.026214
C 1.367357 2.504337 -0.169854
C 1.794345 -2.695522 0.302094
C 3.972825 0.685582 -1.667286
C -3.599892 0.395518 -0.125946
C -6.082191 0.455834 -0.123818
H -1.236170 1.849588 -0.150737
H -0.881158 -2.447906 0.216648
H 2.284353 2.636449 0.427131
H 1.597412 2.750389 -1.225346
H 0.616657 3.236402 0.169276
H 2.510977 -2.852775 -0.520898
H 2.401684 -2.710031 1.221988
H 1.087677 -3.541754 0.327195
H 3.528066 1.674069 -1.836987
H 5.071427 0.719481 -1.653019
H 3.591429 -0.080877 -2.355990
H -4.780461 -1.253649 0.181551
H -5.869738 1.518280 -0.320473
H -6.668828 0.378779 0.809653
H -6.682108 0.053454 -0.960255


