%chk=000000162.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000162

0 1
 S   0.1923000       2.237600      0.2062000    
 O    1.892000      -1.680600       1.282000    
 O   -2.754000      -1.478500      0.2449000    
 O   -1.053000      -2.119800      -1.130300    
 N   0.6023000     -0.3009000     -0.1333000    
 N    3.528400      0.2373000     -0.8367000    
 C    1.212600      0.9483000     -0.5976000    
 C   -1.313100       1.142600      0.1389000    
 C  -0.7473000     -0.2713000      0.3925000    
 C    2.491000      0.5211000      0.1368000    
 C    1.702100     -0.7388000      0.5463000    
 C   -2.282900       1.561900       1.245300    
 C   -1.970900       1.328400      -1.235300    
 C   -1.499300      -1.387400     -0.2598000    
 H    1.248200       1.008600      -1.690500    
 H  -0.6814000     -0.4949000       1.465800    
 H    2.811400       1.137900      0.9812000    
 H   -2.613000       2.599700       1.118000    
 H   -3.181500      0.9359000       1.241900    
 H   -1.829000       1.475500       2.239400    
 H   -2.233300       2.378000      -1.414800    
 H   -1.320700       1.001300      -2.054400    
 H   -2.902000      0.7559000      -1.310200    
 H    4.314300     -0.2881000     -0.4558000    
 H    3.929000       1.071900      -1.263200    
 H   -3.265400      -2.203800     -0.1731000    


%chk=000000162-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000000162

0 1
S 0.176882 2.356008 0.130654
O 2.038448 -1.565872 1.470406
O -2.716774 -1.671516 0.411336
O -1.315740 -1.906714 -1.431596
N 0.639250 -0.268904 -0.036585
N 3.767384 0.381019 -0.746753
C 1.223630 0.956707 -0.628641
C -1.368525 1.168015 0.118350
C -0.758929 -0.285404 0.382048
C 2.606755 0.593487 0.066093
C 1.812385 -0.636129 0.674762
C -2.314132 1.582628 1.259109
C -2.051021 1.284686 -1.261800
C -1.570614 -1.364359 -0.341173
H 1.230561 1.016444 -1.726049
H -0.811995 -0.503615 1.465244
H 2.826807 1.315152 0.871147
H -2.721313 2.593475 1.081158
H -3.161571 0.874807 1.316871
H -1.793124 1.584061 2.232236
H -2.346444 2.331778 -1.440542
H -1.381559 0.970466 -2.080810
H -2.964497 0.659955 -1.301613
H 3.815133 -0.465580 -1.310770
H 4.659259 0.749372 -0.427787
H -3.243455 -2.372168 -0.061092


