%chk=000117417.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117417

0 1
 S   -1.272400     -7.6600000E-02  -1.193900    
 S    3.100100     -0.1578000       1.313300    
 P    1.554400     -2.9899999E-02  0.1305000    
 O   -2.086900      6.4300001E-02   1.306200    
 O    1.564400       1.243800     -0.8850000    
 O    1.404500      -1.244000     -0.9450000    
 N   0.2096000      3.5000000E-02   1.023000    
 C   -3.005800      0.3456000     -0.9073000    
 C   -3.249200     -0.1780000      0.4987000    
 C  -0.9758000      7.6000001E-03  0.5217000    
 C    1.543700       2.564300     -0.3690000    
 C    1.213500      -2.574300     -0.4932000    
 H   -3.676100     -0.1021000      -1.644800    
 H   -3.104800       1.435000     -0.9377000    
 H   -4.104900      0.3290000      0.9558000    
 H   -3.456700      -1.255000      0.5056000    
 H    1.340900       3.255500      -1.190800    
 H    2.515200       2.809200      6.6799998E-02
 H   0.7590000       2.671200      0.3841000    
 H    2.171300      -2.995200     -0.1774000    
 H   0.8223000      -3.170600      -1.321400    
 H   0.5028000      -2.611200      0.3361000    


%chk=000117417-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000117417

0 1
S -2.156017 -1.235753 -0.638619
S 2.244489 -0.591300 2.045832
P 1.183536 -0.028918 0.368819
O -2.651278 1.078825 0.689611
O 1.945726 1.171546 -0.629588
O 0.878617 -1.236690 -0.838894
N -0.384393 0.626259 0.638620
C -3.919751 -0.537362 -0.651995
C -3.966568 0.392682 0.568603
C -1.573980 0.270242 0.318363
C 2.633992 2.296330 0.040866
C 1.982015 -2.134128 -1.242901
H -4.633332 -1.369204 -0.556773
H -4.073059 -0.001663 -1.600514
H -4.707729 1.199420 0.465866
H -4.138646 -0.172278 1.502472
H 3.201477 2.794373 -0.759621
H 3.317954 1.925814 0.826805
H 1.895663 2.991649 0.478130
H 2.714884 -1.580804 -1.855204
H 1.500552 -2.923223 -1.839479
H 2.474948 -2.570016 -0.354099


