%chk=000022582.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022582

0 1
 S    2.461600     -3.1000001E-03 -0.4109000    
 O    3.033000      3.1999999E-03   1.125800    
 O    2.819100      -1.269600      -1.032100    
 O    2.847800       1.260800      -1.023000    
 O   -4.070900       1.100200      0.2222000    
 O   -4.071800      -1.095100      0.2306000    
 N   -3.465900      2.0999999E-03  0.1677000    
 C   0.7238000     -1.5000000E-03 -0.2406000    
 C   2.9999999E-02   1.207100     -0.1777000    
 C   2.8999999E-02  -1.209000     -0.1682000    
 C   -2.052800      1.0000000E-03  3.0300001E-02
 C   -1.358200       1.208300     -4.2100001E-02
 C   -1.359300      -1.207700     -3.2699998E-02
 C    4.434500      3.4000000E-03   1.350700    
 H   0.5510000       2.159200     -0.2249000    
 H   0.5483000      -2.162400     -0.2070000    
 H   -1.865200       2.168700      5.2000000E-03
 H   -1.867200      -2.167200      2.2399999E-02
 H    4.885500      0.9009000      0.9185000    
 H    4.886600     -0.8907000      0.9126000    
 H    4.614400       0.000000       2.428600    


%chk=000022582-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000022582

0 1
S 2.534689 -0.002376 -0.577110
O 2.978616 0.000403 1.226830
O 2.988959 -1.412570 -1.235429
O 2.990550 1.405108 -1.240295
O -4.114480 1.143156 0.324379
O -4.115117 -1.136977 0.333299
N -3.520918 0.002617 0.250283
C 0.671381 -0.000819 -0.300473
C 0.024301 1.242116 -0.221478
C 0.023507 -1.242688 -0.211821
C -2.041948 0.001422 0.056260
C -1.374496 1.241266 -0.040063
C -1.375285 -1.239580 -0.030402
C 4.443127 0.001516 1.450365
H 0.589463 2.173749 -0.316568
H 0.587957 -2.175461 -0.299601
H -1.944829 2.170559 0.028512
H -1.946183 -2.167962 0.045325
H 4.908194 0.912211 1.033613
H 4.910019 -0.907289 1.031456
H 4.535793 0.000200 2.548319


