%chk=000114717.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114717

0 1
 S    2.379700      0.9152000      0.8552000    
 P   0.6410000      0.4300000     -0.2258000    
 O   0.5612000      -1.180500     -0.4352000    
 O  -0.6523000      0.7619000      0.6933000    
 O   0.6319000       1.181600      -1.532200    
 C    3.751400      0.4155000     -0.2045000    
 C    5.084900      0.7165000      0.4704000    
 C    6.252000      0.2963000     -0.4109000    
 C   0.5591000      -2.045100      0.6875000    
 C   -1.957600      0.5477000      0.3405000    
 C   -2.254800      9.9999997E-05 -0.9030000    
 C   -2.975000      0.8802000       1.228700    
 C   0.4783000      -3.478200      0.2061000    
 C   -3.584800     -0.2174000      -1.262600    
 C   -4.305100      0.6626000      0.8690000    
 C   -4.609900      0.1137000     -0.3766000    
 H    3.673800      0.9519000      -1.155700    
 H    3.660200     -0.6554000     -0.4132000    
 H    5.172900       1.789100      0.6825000    
 H    5.158000      0.1850000       1.427100    
 H    6.235200      0.8314000      -1.365700    
 H    7.201500      0.5183000      8.6300001E-02
 H    6.220100     -0.7782000     -0.6180000    
 H    1.477300      -1.903700       1.264300    
 H  -0.2975000      -1.816800       1.328100    
 H   -1.495400     -0.2709000      -1.626500    
 H   -2.741900       1.307700       2.199700    
 H   0.4759000      -4.174400       1.049400    
 H  -0.4303000      -3.635200     -0.3845000    
 H    1.326300      -3.714500     -0.4452000    
 H   -3.823000     -0.6442000      -2.232600    
 H   -5.103300      0.9204000       1.558800    
 H   -5.645500     -5.5599999E-02 -0.6566000    


%chk=000114717-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000114717

0 1
S 2.701053 -0.522181 1.493230
P 1.090376 -0.570216 -0.118265
O 0.535216 -2.198855 -0.319479
O -0.163768 0.184278 0.848945
O 1.452554 0.064659 -1.528883
C 4.168894 -0.181516 0.306248
C 4.317984 1.305723 -0.041792
C 5.564068 1.543378 -0.926379
C 0.204249 -3.020190 0.884808
C -1.470218 0.478117 0.353079
C -1.735587 0.752954 -1.007896
C -2.486371 0.533549 1.331829
C -0.173221 -4.400891 0.357246
C -3.058840 1.076568 -1.384754
C -3.799583 0.870439 0.936796
C -4.092047 1.138343 -0.421452
H 4.021084 -0.798784 -0.595942
H 5.037157 -0.572624 0.866411
H 3.410902 1.642202 -0.575627
H 4.393756 1.898364 0.889227
H 5.492423 0.982245 -1.876485
H 5.660713 2.615130 -1.176046
H 6.492830 1.230813 -0.412605
H 1.091601 -3.057109 1.546603
H -0.634511 -2.542593 1.425040
H -0.931148 0.722427 -1.750328
H -2.235053 0.326092 2.376352
H -0.435881 -5.063921 1.202459
H -1.041688 -4.334617 -0.319170
H 0.668089 -4.851883 -0.195093
H -3.276263 1.288556 -2.437310
H -4.591978 0.921056 1.691639
H -5.112489 1.395489 -0.724306


