%chk=000085085.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085085

0 1
 S   -2.121300      -1.049400      -1.323300    
 P   -2.185700       1.378500      0.3750000    
 O   -3.399600       2.388500      0.7511000    
 O   -1.525500       1.046100       1.820600    
 O   -1.618500     -0.1959000      -2.382600    
 O   -2.933700      -2.207700      -1.641900    
 O   -1.187700       1.977300     -0.5789000    
 O    2.178300       1.283700      -1.071200    
 N   -2.939900     -9.1100000E-02 -0.1749000    
 N    2.725900     -0.5278000      0.3026000    
 C  -0.7170000      -1.601000     -0.4041000    
 C   0.4417000     -0.8432000     -0.4188000    
 C    1.550400      -1.279100      0.3068000    
 C  -0.8000000      -2.781600      0.3145000    
 C    1.483700      -2.466300       1.036300    
 C   0.3085000      -3.217500       1.040200    
 C    2.981500      0.6801000     -0.3639000    
 C    4.370300       1.231000     -0.1543000    
 C   -4.320400       2.754000     -0.2617000    
 C   -2.340600      0.6083000       2.893900    
 C    5.378200      0.5266000      0.7036000    
 C    4.671400       2.386500     -0.7690000    
 H   -3.738400     -0.5017000      0.3240000    
 H   0.4453000      5.4299999E-02  -1.013300    
 H   -1.708500      -3.375700      0.3355000    
 H    2.339600      -2.818000       1.606800    
 H   0.2561000      -4.140700       1.609700    
 H    3.474400     -0.9292000      0.8603000    
 H   -3.786000       3.110500      -1.146200    
 H   -4.944400       1.896000     -0.5241000    
 H   -4.958600       3.556000      0.1171000    
 H   -1.699800      0.3938000       3.752600    
 H   -2.875300     -0.3031000       2.616200    
 H   -3.051900       1.390600       3.170000    
 H    5.013300      0.4351000       1.731800    
 H    5.590100     -0.4724000      0.3089000    
 H    6.330600       1.066800      0.7451000    
 H    5.653400       2.836400     -0.6586000    
 H    3.967200       2.922800      -1.395900    


%chk=000085085-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000085085

0 1
S -2.173254 -1.486755 -0.974753
P -2.743422 0.746930 1.201164
O -3.736055 1.954404 0.451542
O -3.668815 0.478581 2.626511
O -2.046695 -0.304457 -2.075683
O -3.011138 -2.846470 -1.264708
O -1.200069 1.120435 1.265842
O 2.066734 1.339423 -1.193954
N -3.044435 -0.803087 0.482437
N 2.942259 -0.456525 0.032277
C -0.455267 -1.938825 -0.332250
C 0.547166 -0.968255 -0.426029
C 1.834370 -1.337322 0.054732
C -0.306507 -3.234924 0.182619
C 2.032725 -2.637701 0.599252
C 0.980993 -3.572408 0.658897
C 3.029692 0.814697 -0.559972
C 4.369043 1.499357 -0.383421
C -3.199882 2.616023 -0.771533
C -4.030058 1.639033 3.477957
C 5.481732 0.827531 0.406198
C 4.514290 2.724872 -0.955147
H -3.917623 -1.308724 0.678565
H 0.372999 0.026343 -0.842525
H -1.141065 -3.941455 0.193454
H 3.025286 -2.921319 0.971548
H 1.162369 -4.569049 1.072991
H 3.784906 -0.802976 0.494771
H -2.238159 3.109975 -0.549785
H -3.067134 1.875228 -1.580209
H -3.966638 3.357305 -1.040373
H -4.633201 1.204934 4.288814
H -4.620201 2.370532 2.901103
H -3.122752 2.113716 3.891945
H 5.186137 0.635499 1.456866
H 5.793013 -0.134741 -0.048240
H 6.375740 1.471673 0.434952
H 5.448234 3.291131 -0.874675
H 3.681779 3.168873 -1.511281


