%chk=000014572.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000014572

0 1
 S   -2.358700      4.8799999E-02  0.7348000    
 O   -2.717300      -1.190100       1.400300    
 O   -2.667400       1.316000       1.371300    
 O    4.097000       1.167000     -0.2877000    
 O    4.245400      -1.101000     -0.2900000    
 N   -2.991300      4.2500000E-02 -0.8695000    
 C  -0.6094000      1.1000000E-02  0.4607000    
 C   3.0999999E-02  -1.211000      0.3708000    
 C   7.8800000E-02   1.204300      0.3427000    
 C   -2.612400       1.162000      -1.768600    
 C   -3.041000      -1.255600      -1.589200    
 C    2.121600     -4.8099998E-02  3.3300001E-02
 C    1.408900      -1.240900      0.1553000    
 C    1.456600       1.174500      0.1271000    
 C    3.558100     -7.9300001E-02 -0.1912000    
 H  -0.5077000      -2.149500      0.4562000    
 H  -0.4216000       2.165300      0.4079000    
 H   -2.607200       2.110500      -1.224600    
 H   -3.354200       1.253600      -2.568600    
 H   -1.630100      0.9891000      -2.216700    
 H   -3.472100      -2.032400     -0.9521000    
 H   -2.041600      -1.557700      -1.913300    
 H   -3.685600      -1.166200      -2.469500    
 H    1.908100      -2.203700      8.3600000E-02
 H    1.972300       2.126500      3.6800001E-02
 H    5.065700       1.135000     -0.4396000    


%chk=000014572-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000014572

0 1
S -2.405629 0.078508 0.698654
O -2.816571 -1.314270 1.427762
O -2.747786 1.550596 1.295771
O 4.309173 1.109057 -0.249738
O 4.367307 -1.213052 -0.191915
N -3.249863 0.020244 -0.992405
C -0.518693 0.022502 0.437784
C 0.108627 -1.235682 0.403862
C 0.168159 1.242217 0.309424
C -2.947354 1.230983 -1.788110
C -3.016240 -1.276199 -1.667453
C 2.230372 -0.056648 0.064216
C 1.504880 -1.268053 0.212006
C 1.565455 1.195993 0.119084
C 3.705848 -0.150078 -0.132287
H -0.475026 -2.148920 0.557251
H -0.372286 2.190682 0.391005
H -3.055326 2.119266 -1.143905
H -3.709995 1.296172 -2.585194
H -1.940018 1.222802 -2.262349
H -3.162613 -2.090457 -0.938621
H -2.014201 -1.365840 -2.144421
H -3.788476 -1.379743 -2.451091
H 2.050223 -2.216638 0.182395
H 2.146847 2.116348 0.021063
H 5.289084 0.990810 -0.372589


