%chk=000060453.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060453

0 1
 S  -0.9647000     -0.1325000     -0.9935000    
 O   0.8203000       2.384600     -0.4049000    
 O    2.858000       2.215400      0.3939000    
 O   -3.658200       1.362500     -0.3703000    
 N    1.019800      -1.788900     -0.1491000    
 N    2.714400     -0.4860000      0.4532000    
 N    1.785300       1.676700     -3.9999999E-04
 N   -4.230000     -0.6032000      0.6750000    
 C   0.6380000     -0.5150000     -0.3535000    
 C    1.664500      0.2796000      1.1500000E-02
 C    2.293400      -1.726500      0.3440000    
 C   0.2875000      -3.013200     -0.3833000    
 C   -1.896500      7.3000002E-03  0.5501000    
 C   -3.331800      0.3391000      0.2274000    
 H    2.863900      -2.607800      0.6045000    
 H   0.9226000      -3.869200     -0.1398000    
 H  -0.5967000      -3.020300      0.2587000    
 H   6.8999999E-03  -3.057100      -1.438600    
 H   -1.823300     -0.9266000       1.115300    
 H   -1.490800      0.8143000       1.168700    
 H   -5.225900     -0.4867000      0.5193000    
 H   -3.944500      -1.442500       1.169000    


%chk=000060453-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060453

0 1
S -1.293044 -0.853737 -0.866294
O -0.534002 1.654904 0.964012
O 1.618910 2.419758 0.953828
O -4.737873 -0.639249 0.684416
N 1.302173 -1.869041 -0.476810
N 2.507420 -0.222916 0.530813
N 0.750452 1.491366 0.786808
N -3.404022 1.268262 0.498374
C 0.395065 -0.819725 -0.246892
C 1.186753 0.178194 0.372476
C 2.545802 -1.460515 0.009139
C 1.001940 -3.181963 -1.075013
C -2.313201 -0.915762 0.771030
C -3.598475 -0.085262 0.638705
H 3.430413 -2.091362 -0.037599
H 0.803340 -3.929019 -0.287442
H 0.111631 -3.097470 -1.715823
H 1.858710 -3.510091 -1.684649
H -2.580134 -1.964327 0.957043
H -1.654757 -0.511453 1.555263
H -4.222067 1.871572 0.422042
H -2.462833 1.671836 0.503775


