%chk=000026441.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026441

0 1
 S  -0.6726000      -1.914200     -4.8400000E-02
 O    1.616600      0.7816000      0.4425000    
 O   -1.750900      -2.865200     -0.2697000    
 O   0.4653000      -1.881500     -0.9543000    
 O    1.198400      0.6038000      -1.814200    
 N  -9.9299997E-02  -2.088200       1.550800    
 C   -1.365600     -0.3080000      2.3700001E-02
 C  -0.6059000      0.8240000     -0.2711000    
 C    3.024600      0.6947000      0.1980000    
 C   0.7974000      0.7242000     -0.6506000    
 C   -2.706200     -0.1737000      0.3846000    
 C   -1.186800       2.090500     -0.2046000    
 C    3.770000      0.8089000       1.518900    
 C    3.329500     -0.6147000     -0.5135000    
 C   -3.287000       1.092800      0.4512000    
 C   -2.527300       2.224900      0.1566000    
 H    3.322800       1.539800     -0.4348000    
 H   -3.317800      -1.038300      0.6267000    
 H  -0.6052000       2.980600     -0.4314000    
 H    4.853600      0.7738000       1.371800    
 H    3.515200       1.749100       2.019800    
 H    3.480700      1.4000000E-03   2.200700    
 H    4.411400     -0.7913000     -0.5253000    
 H    3.017100     -0.6463000      -1.558200    
 H    2.864500      -1.460400      3.4000000E-03
 H   -4.330300       1.197900      0.7342000    
 H   -2.979600       3.211000      0.2090000    
 H  -0.5946000      -2.744200       2.167000    
 H   0.9171000      -2.065200       1.698600    


%chk=000026441-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000026441

0 1
S -0.495717 -1.785516 0.602396
O 1.577428 0.404925 0.491527
O -1.702989 -2.836730 0.902194
O 0.602823 -2.183655 -0.528152
O 1.367488 2.148906 -1.036730
N 0.193311 -1.440012 2.244392
C -1.325092 -0.094642 0.211909
C -0.638256 1.076538 -0.186252
C 3.084084 0.386195 0.275553
C 0.845022 1.268465 -0.312049
C -2.724501 -0.167933 0.290014
C -1.434616 2.205489 -0.526054
C 3.662981 -0.278463 1.526204
C 3.386960 -0.366982 -1.026564
C -3.488979 0.975084 -0.035265
C -2.840271 2.160577 -0.447665
H 3.394593 1.444709 0.200951
H -3.192813 -1.112091 0.589283
H -0.913244 3.109460 -0.856722
H 4.765880 -0.243780 1.481362
H 3.345575 0.246486 2.445132
H 3.361073 -1.339629 1.584034
H 4.480627 -0.483163 -1.138232
H 3.009220 0.186953 -1.901473
H 2.915734 -1.364209 -1.006432
H -4.581108 0.930885 0.025590
H -3.427957 3.045851 -0.711028
H 0.284063 -2.320703 2.772087
H 1.043782 -0.865212 2.151389


