%chk=000168135.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168135

0 1
 S    2.059300      -2.114900       1.128200    
 P    2.313000     -0.1195000      0.5238000    
 O   -1.690400       1.713300      0.6236000    
 O   -2.989300       1.824600      -1.269500    
 O  -0.4549000      -2.597800     -0.6883000    
 O    1.887900      1.9200001E-02  -1.039600    
 O    3.888400      0.2813000      0.5057000    
 O    1.516800      0.7999000       1.413500    
 N   -1.354500     -0.8351000      0.5315000    
 C   -3.647800      -1.003800     -0.4206000    
 C   -2.254700     -0.3404000     -0.4805000    
 C   -4.239000      -1.044100      0.9928000    
 C   -3.616300      -2.415500      -1.013800    
 C   -2.363000       1.179800     -0.4347000    
 C  -0.5241000      -1.929800      0.3422000    
 C   0.3085000      -2.258400       1.558900    
 C   -1.740600       3.139200      0.7383000    
 C  -0.9491000       3.563900       1.956900    
 C    1.614200       1.308600      -1.560700    
 C    4.802700     -0.4683000     -0.2755000    
 C    1.243900       1.181100      -3.022900    
 C    6.188900      0.1168000     -0.1092000    
 H   -4.335700     -0.4180000      -1.044800    
 H   -1.792000     -0.5544000      -1.453400    
 H   -3.657100      -1.688200       1.660200    
 H   -4.275500     -4.1099999E-02   1.430200    
 H   -5.262800      -1.432800      0.9683000    
 H   -3.052500      -3.110200     -0.3841000    
 H   -3.173700      -2.414200      -2.015200    
 H   -4.633900      -2.811800      -1.104100    
 H   -1.346300     -0.3567000       1.427600    
 H   8.5800000E-02  -3.284400       1.866600    
 H   8.7399997E-02  -1.595400       2.399600    
 H   -2.783000       3.459300      0.8445000    
 H   -1.309500       3.593700     -0.1606000    
 H   -1.343900       3.086200       2.859500    
 H   9.6799999E-02   3.254800       1.864100    
 H  -0.9840000       4.649300       2.086400    
 H    2.501500       1.938800      -1.446100    
 H   0.7871000       1.757700      -1.003500    
 H    4.502000     -0.4285000      -1.326800    
 H    4.801300      -1.511100      5.3300001E-02
 H    2.058300      0.7158000      -3.587800    
 H   0.3654000      0.5382000      -3.142300    
 H    1.026300       2.160600      -3.457700    
 H    6.204500       1.166000     -0.4225000    
 H    6.493400      9.4200000E-02  0.9424000    
 H    6.921500     -0.4392000     -0.7009000    


%chk=000168135-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168135

0 1
S 1.579070 -1.535837 -1.801789
P 1.918608 -0.215345 0.030473
O -1.820116 0.790193 -1.380437
O -4.142012 0.808061 -1.168288
O -1.774142 -3.079257 -1.866662
O 2.179984 1.301558 -0.758245
O 3.441446 -0.619783 0.751010
O 0.776775 -0.286265 1.143784
N -1.490946 -1.536906 -0.127821
C -3.512579 -0.915025 1.246897
C -2.870056 -1.055133 -0.172828
C -2.763003 0.109182 2.133158
C -3.607939 -2.295136 1.933261
C -3.033707 0.265162 -0.949812
C -1.037832 -2.482904 -1.019111
C 0.454752 -2.812715 -0.906996
C -1.883559 2.051888 -2.181303
C -1.934546 3.277557 -1.264234
C 2.095694 2.555164 0.065066
C 4.652364 -0.740680 -0.120185
C 2.194657 3.709640 -0.925359
C 5.801387 -1.118476 0.808838
H -4.537104 -0.534304 1.067125
H -3.449839 -1.805230 -0.746157
H -1.723380 -0.205425 2.341586
H -2.728906 1.109381 1.662344
H -3.278971 0.214636 3.104708
H -2.603014 -2.721089 2.108211
H -4.178718 -3.013984 1.316677
H -4.114904 -2.205072 2.911415
H -0.800684 -1.034264 0.457900
H 0.653823 -3.754334 -1.439400
H 0.792884 -2.889606 0.139874
H -2.771148 2.006470 -2.836594
H -0.961224 2.016229 -2.782654
H -2.874979 3.296624 -0.688800
H -1.084056 3.277606 -0.559785
H -1.882666 4.200807 -1.871105
H 2.929479 2.561776 0.792747
H 1.135630 2.555318 0.613793
H 4.829501 0.226585 -0.627328
H 4.463112 -1.520492 -0.882899
H 3.146117 3.669878 -1.481917
H 1.363467 3.674050 -1.649430
H 2.146716 4.671837 -0.382382
H 5.961784 -0.339744 1.573254
H 5.592227 -2.072816 1.320309
H 6.731857 -1.231082 0.222092


