%chk=000118391.chk
%nprocshared=8
%mem=28GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118391

0 1
 S    3.132400     -0.8972000     -0.1255000    
 O   -1.604300       2.605100      0.1796000    
 O   -2.034000      -1.455300     -0.1218000    
 O    2.703500      -2.221400     -0.5533000    
 O    4.171500     -0.1982000     -0.8686000    
 O   -2.911800      0.3464000       1.010700    
 N    3.589400     -0.9703000       1.519200    
 C    1.726400      0.1344000     -3.4600001E-02
 C  -0.6606000      0.4002000      0.2269000    
 C   0.4623000     -0.4242000      0.1542000    
 C  -0.5194000       1.783000      0.1110000    
 C    1.867700       1.517200     -0.1503000    
 C   0.7447000       2.341500     -7.7500001E-02
 C   -1.971300     -0.2031000      0.4243000    
 C   -3.277200      -2.153700      6.5000001E-03
 C   -3.151400      -3.509800     -0.6543000    
 C   -2.267700       2.905300      -1.046500    
 H   0.3651000      -1.501000      0.2654000    
 H    2.843100       1.974200     -0.2909000    
 H   0.8626000       3.418100     -0.1664000    
 H    3.442600      -1.857400       2.016000    
 H    4.444000     -0.4737000       1.799100    
 H   -3.516300      -2.278400       1.068400    
 H   -4.070800      -1.575500     -0.4795000    
 H   -4.085800      -4.072200     -0.5744000    
 H   -2.893800      -3.400100      -1.712900    
 H   -2.347600      -4.091100     -0.1904000    
 H   -1.601700       3.461800      -1.713400    
 H   -3.137200       3.528800     -0.8214000    
 H   -2.611800       1.990500      -1.539100    


%chk=000118391-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000118391

0 1
S 3.218675 -0.939063 -0.036756
O -1.357549 2.997465 -0.209025
O -2.013458 -1.377087 -0.318733
O 2.700630 -2.369954 -0.618568
O 4.499180 -0.129119 -0.636874
O -2.988582 0.478873 0.690020
N 3.583038 -1.195997 1.751694
C 1.760164 0.235640 -0.027101
C -0.653578 0.567431 -0.064075
C 0.475919 -0.301773 -0.064150
C -0.419691 1.983946 -0.096918
C 2.016041 1.621159 0.005901
C 0.914567 2.483653 -0.035831
C -1.995364 -0.056295 0.132640
C -3.269891 -2.145836 -0.054160
C -3.056915 -3.541958 -0.628572
C -2.653494 2.812846 -0.892733
H 0.319196 -1.383697 -0.086939
H 3.042254 2.000637 0.017994
H 1.043608 3.569166 -0.055612
H 3.420520 -2.192848 1.971588
H 4.557929 -0.895786 1.919518
H -3.446058 -2.154122 1.036872
H -4.109354 -1.611096 -0.534001
H -3.960531 -4.155330 -0.459182
H -2.864949 -3.497434 -1.713920
H -2.201340 -4.043238 -0.145012
H -2.547885 2.115714 -1.744909
H -2.915420 3.818266 -1.255595
H -3.405061 2.429739 -0.187063


