%chk=000081037.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081037

0 1
 S    3.913600      0.5913000      0.1619000    
 S   -2.910700      0.1961000      -2.268000    
 P   -3.051700     -0.1643000     -0.3594000    
 O   -1.823200     -0.9776000      0.3163000    
 O   -3.235200       1.094200      0.6511000    
 O    3.950500       2.028900      0.5942000    
 C    1.824700      -1.257400      0.2798000    
 C    2.187300      8.7700002E-02  0.2098000    
 C  -0.5005000     -0.6264000      0.2811000    
 C   0.4770000      -1.615400      0.3155000    
 C    1.202000       1.074700      0.1754000    
 C  -0.1456000      0.7166000      0.2113000    
 C    2.847600      -2.346500      0.3186000    
 C   -4.421700      -1.233200      0.1157000    
 C    4.111400      0.5691000      -1.639000    
 C   -4.425500       1.862200      0.6356000    
 H   0.1796000      -2.659600      0.3692000    
 H    1.454500       2.130000      0.1157000    
 H  -0.8811000       1.511800      0.1875000    
 H    3.420100      -2.375200     -0.6136000    
 H    3.529400      -2.209500       1.164500    
 H    2.385800      -3.332500      0.4425000    
 H   -4.435400      -1.378200       1.199900    
 H   -5.379000     -0.8012000     -0.1894000    
 H   -4.320200      -2.213100     -0.3601000    
 H    3.978300     -0.4470000      -2.016500    
 H    5.121400      0.9106000      -1.878300    
 H    3.385500       1.240300      -2.104800    
 H   -5.216800       1.327700       1.166700    
 H   -4.740600       2.071800     -0.3894000    
 H   -4.235500       2.809000       1.147100    


%chk=000081037-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000081037

0 1
S 3.858667 0.562924 0.330938
S -2.896098 -1.298377 -1.978237
P -3.296504 -0.723936 -0.032783
O -1.985777 -0.972741 1.142419
O -3.770680 0.940296 0.177141
O 3.895215 2.019663 1.157811
C 1.569224 -1.226552 -0.008405
C 2.023349 0.025430 0.470076
C -0.641211 -0.612521 0.871315
C 0.200507 -1.530281 0.205215
C 1.203935 0.938832 1.153696
C -0.155777 0.624017 1.353168
C 2.472615 -2.212377 -0.729462
C -4.628261 -1.543298 0.943758
C 3.790021 1.112658 -1.517969
C -3.285909 1.970881 -0.766761
H -0.214628 -2.481214 -0.143541
H 1.662325 1.866536 1.523563
H -0.830084 1.298335 1.890843
H 2.522780 -1.992646 -1.813652
H 3.505279 -2.191190 -0.336148
H 2.091814 -3.242189 -0.625623
H -4.696718 -1.040166 1.920171
H -5.578549 -1.450577 0.398357
H -4.369981 -2.603258 1.081421
H 3.603274 0.236338 -2.156510
H 4.769841 1.566311 -1.726673
H 2.981739 1.854211 -1.586430
H -3.283524 1.584504 -1.803202
H -2.271291 2.302218 -0.484460
H -3.999594 2.803073 -0.669137


