%chk=000123163.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000123163

0 1
 S    2.084500      0.1627000      -2.381700    
 P    2.266000      1.7300000E-02 -0.4452000    
 O    1.143200     -0.8539000      0.3349000    
 O    3.634000     -0.6859000      8.9900002E-02
 O    2.275900       1.401800      0.4095000    
 O   -5.106400      -1.229100      0.1716000    
 O   -4.864700      0.9190000     -0.2105000    
 N   -4.383800     -0.2169000      1.3800000E-02
 C  -0.2136000     -0.6916000      0.2546000    
 C   -2.126500      0.7353000     -7.6099999E-02
 C  -0.7439000      0.5699000      4.9999999E-03
 C   -2.971300     -0.3619000      9.2500001E-02
 C   -1.050700      -1.789600      0.4238000    
 C   -2.433400      -1.624300      0.3425000    
 C   -2.670900       2.101300     -0.3447000    
 C    3.859700      -2.064600     -0.1516000    
 C    3.149800       2.453600      3.6400001E-02
 C    5.193600      -2.458000      0.4467000    
 C    2.958500       3.614700      0.9886000    
 H  -0.1033000       1.435300     -0.1203000    
 H  -0.6352000      -2.774200      0.6184000    
 H   -3.057300      -2.503800      0.4796000    
 H   -1.851400       2.824900     -0.4466000    
 H   -3.205900       2.149200      -1.299000    
 H   -3.271700       2.475100      0.4910000    
 H    3.057500      -2.651800      0.3054000    
 H    3.864500      -2.252500      -1.229200    
 H    4.183300       2.096000      7.5199999E-02
 H    2.924100       2.778800     -0.9831000    
 H    5.399800      -3.518600      0.2785000    
 H    6.003000      -1.866200      6.5000001E-03
 H    5.205700      -2.261900       1.524000    
 H    3.619300       4.446500      0.7288000    
 H    1.921500       3.965700      0.9649000    
 H    3.166400       3.306500       2.018600    


%chk=000123163-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000123163

0 1
S 2.110744 0.062984 -2.381630
P 2.290980 -0.050884 -0.335277
O 1.027561 -0.886624 0.551519
O 3.645512 -0.878761 0.317121
O 2.332933 1.410310 0.568211
O -5.269345 -1.321986 0.285604
O -5.141395 0.860584 -0.336803
N -4.587927 -0.253704 0.018610
C -0.349557 -0.658236 0.370748
C -2.273897 0.806537 -0.120063
C -0.878747 0.601926 0.019308
C -3.112770 -0.324570 0.127313
C -1.195872 -1.764999 0.612511
C -2.579494 -1.587037 0.494057
C -2.755009 2.191456 -0.505141
C 4.073992 -2.173473 -0.305670
C 3.337299 2.456756 0.181024
C 5.429981 -2.506252 0.306454
C 2.974073 3.704635 0.977778
H -0.201033 1.447711 -0.131793
H -0.760608 -2.729516 0.885517
H -3.273310 -2.412028 0.671699
H -1.893988 2.871626 -0.616210
H -3.322035 2.173642 -1.451509
H -3.447974 2.605925 0.246838
H 3.311901 -2.937234 -0.065406
H 4.129336 -2.040829 -1.403128
H 4.342388 2.077665 0.440377
H 3.274184 2.624164 -0.911644
H 5.792482 -3.469269 -0.098061
H 6.171243 -1.725323 0.067175
H 5.352833 -2.595439 1.402929
H 3.698364 4.509734 0.755067
H 1.963931 4.061038 0.714537
H 3.003524 3.498271 2.060639


