%chk=000019175.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019175

0 1
 S  -0.1738000       1.500500     -0.9886000    
 O   0.2992000      0.9833000      -2.268300    
 O  -0.4457000       2.928400     -0.8726000    
 O    3.050500     -0.2444000      -1.128600    
 O    1.420800       3.132700       1.136600    
 N   0.9290000       1.013900      0.2579000    
 N   0.4030000      -1.080200       1.209000    
 N    2.514200      -2.289800     -0.1858000    
 N   -5.168600      -1.372200      0.4794000    
 C   -1.639700      0.6562000     -0.5572000    
 C    1.211000     -0.3961000      0.3868000    
 C   -2.205900     -0.2573000      -1.446400    
 C   -2.245600      0.8959000      0.6761000    
 C    1.587400       1.914600       1.178300    
 C   -3.377700     -0.9311000      -1.102300    
 C   -3.417500      0.2220000       1.020200    
 C   -3.983600     -0.6915000      0.1310000    
 C    2.244900     -0.9741000     -0.2997000    
 C    2.520300       1.322900       2.206200    
 C   0.6725000      -2.395900       1.323000    
 C    1.709500      -2.990000      0.6380000    
 C    4.095600     -0.9476000      -1.793000    
 H   -1.756500     -0.4623000      -2.413500    
 H   -1.817300       1.605400       1.378900    
 H   -3.809300      -1.640500      -1.803900    
 H   -3.880000      0.4175000       1.984300    
 H    3.372300      0.8432000       1.718800    
 H    1.988900      0.6120000       2.843500    
 H    2.904400       2.123900       2.845800    
 H   2.5599999E-02  -2.959000       1.984100    
 H    1.925100      -4.047200      0.7297000    
 H   -5.579300      -2.035300     -0.1644000    
 H   -5.607500      -1.199200       1.373800    
 H    4.799100      -1.377200      -1.072000    
 H    4.642400     -0.2302000      -2.411900    
 H    3.689600      -1.722200      -2.452100    


%chk=000019175-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000019175

0 1
S -0.043810 0.602049 -0.982503
O 0.272383 -0.683515 -1.933830
O 0.298813 2.103871 -1.469168
O 3.128364 0.089747 -1.221054
O -0.057043 1.818154 1.767842
N 1.080836 0.144434 0.637844
N 1.609143 -2.099903 1.268930
N 3.584786 -2.191034 -0.779313
N -5.878823 0.158601 0.525670
C -1.825505 0.469088 -0.464921
C 1.860936 -1.008869 0.494010
C -2.465562 -0.772036 -0.644750
C -2.479229 1.607579 0.042669
C 0.814688 0.901679 1.779130
C -3.825952 -0.873059 -0.311794
C -3.840644 1.499367 0.363380
C -4.533670 0.259311 0.197639
C 2.881756 -1.059852 -0.526064
C 1.659143 0.571645 3.006855
C 2.358849 -3.220465 1.046962
C 3.318261 -3.272615 0.010483
C 4.020235 -0.000185 -2.400045
H -1.913935 -1.623007 -1.055725
H -1.931035 2.541413 0.186736
H -4.348456 -1.826534 -0.449119
H -4.373770 2.372127 0.756818
H 2.735676 0.572762 2.761118
H 1.398718 -0.431643 3.384843
H 1.451579 1.329471 3.776540
H 2.164953 -4.082018 1.692214
H 3.884012 -4.186478 -0.197023
H -6.380127 -0.718403 0.415482
H -6.388143 0.958247 0.891500
H 5.024369 -0.341808 -2.099115
H 4.041740 1.023891 -2.796516
H 3.593766 -0.702909 -3.134627


