%chk=000116937.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116937

0 1
 S    4.267500      -1.807600     -1.2100000E-02
 P   -4.939600      -1.517200     -8.9800000E-02
 O    4.730600      -1.956100       1.547500    
 O   -4.204100      -2.359800      -1.263400    
 O   -4.546000      -2.377500       1.226800    
 O    3.260000      -2.827000     -0.2578000    
 O    5.462200      -1.726400     -0.8352000    
 O   -6.423200      -1.409700     -0.2928000    
 N   6.2600002E-02   1.072600     -0.5707000    
 N    5.608100      0.9219000      0.1964000    
 N  -0.5227000       1.077500      0.5377000    
 C    3.482200     -0.2452000     -0.1064000    
 C    4.209200      0.9402000      2.9000000E-03
 C   -4.016800     -1.7300000E-02  4.7899999E-02
 C    2.101200     -0.2012000     -0.2975000    
 C    1.454200       1.028000     -0.3786000    
 C    3.555400       2.169600     -7.8900002E-02
 C   -2.635700     -6.2600002E-02  0.2377000    
 C   -1.907500       1.122200      0.3469000    
 C    2.174400       2.213600     -0.2701000    
 C   -4.669800       1.212600     -3.2900002E-02
 C   -2.560500       2.352100      0.2661000    
 C   -3.941600       2.397400      7.6099999E-02
 H    1.511900      -1.109700     -0.3843000    
 H    4.109500       3.101200      4.4999998E-03
 H   -2.128200      -1.021800      0.3013000    
 H    1.672800       3.175500     -0.3334000    
 H   -5.744700       1.259100     -0.1806000    
 H   -2.002100       3.280800      0.3508000    
 H   -4.450000       3.355000      1.3400000E-02
 H    6.113300       1.794800      0.2754000    
 H    6.112200      5.0299998E-02  0.2775000    
 H    3.998800      -1.950800       2.208500    
 H   -4.585100      -3.221600      -1.535800    
 H   -4.984600      -3.242300       1.374400    


%chk=000116937-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116937

0 1
S 4.704578 0.418569 2.069847
P -5.315074 -0.191833 -1.454933
O 4.773960 2.276468 2.020356
O -4.787626 1.092100 -2.496668
O -4.713703 -1.625655 -2.227055
O 3.912609 -0.031952 3.401584
O 6.219981 -0.134016 1.816294
O -6.883452 -0.206112 -1.163754
N 0.011045 0.046571 -0.339267
N 5.656970 0.048981 -0.926270
N -0.496561 0.144985 0.863391
C 3.661490 0.199795 0.529616
C 4.294926 0.073547 -0.753292
C -4.162035 -0.019979 -0.037784
C 2.282829 0.199650 0.731500
C 1.429102 0.067300 -0.396950
C 3.398926 -0.044438 -1.868298
C -2.770635 -0.009400 -0.229247
C -1.927857 0.122166 0.908759
C 2.014131 -0.043144 -1.691949
C -4.741419 0.097319 1.250260
C -2.495492 0.239605 2.205011
C -3.895035 0.227943 2.373481
H 1.843337 0.289733 1.731192
H 3.827302 -0.141833 -2.871867
H -2.319127 -0.100062 -1.220980
H 1.340406 -0.137070 -2.549557
H -5.831343 0.084229 1.361517
H -1.817271 0.337800 3.058760
H -4.328228 0.319110 3.374304
H 6.046778 -0.032742 -1.862304
H 6.279393 0.025180 -0.106972
H 5.246777 2.582416 2.849193
H -5.461702 1.375132 -3.166057
H -5.374079 -2.079763 -2.810360


