%chk=000090479.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090479

0 1
 S    4.042300      1.2800000E-02  -1.397400    
 P    2.857600      0.7451000     -2.4000000E-02
 O   -2.794100     -3.9999999E-04 -0.2952000    
 O    1.284500      0.3871000     -0.2472000    
 O    2.802000       2.374800     -0.1331000    
 O   -1.111800       1.076500      -1.422000    
 N    3.203300      0.4235000       1.569700    
 C   -3.508100       1.218100     -5.7300001E-02
 C  -0.6813000     -0.9872000     -0.2979000    
 C   0.6845000     -0.8233000     -6.6200003E-02
 C   -1.504000      0.1303000     -0.7393000    
 C   -4.922500      0.8894000      0.3955000    
 C   -2.759200       2.043500      0.9779000    
 C   -1.276000      -2.234700     -0.1082000    
 C    1.455300      -1.906800      0.3552000    
 C  -0.5049000      -3.318100      0.3131000    
 C   0.8607000      -3.154200      0.5447000    
 C    1.871700       3.123400      0.6319000    
 H   -3.576000       1.776100     -0.9994000    
 H   -5.508500       1.797200      0.5674000    
 H   -5.432300      0.2812000     -0.3594000    
 H   -4.909500      0.2986000       1.318000    
 H   -3.336600       2.929200       1.262700    
 H   -1.789600       2.393000      0.6116000    
 H   -2.563100       1.453700       1.880400    
 H   -2.334100      -2.399800     -0.2936000    
 H    2.519500      -1.842500      0.5428000    
 H  -0.9669000      -4.290400      0.4572000    
 H    1.460800      -3.999000      0.8702000    
 H    2.532600      0.7447000       2.266100    
 H    4.119700      0.7119000       1.909000    
 H    2.035800       2.960400       1.699400    
 H   0.8494000       2.848000      0.3625000    
 H    2.017800       4.184100      0.4129000    


%chk=000090479-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000090479

0 1
S 4.628677 -0.416518 0.867690
P 3.016463 0.769982 0.406121
O -2.486312 0.243843 0.323124
O 1.610033 0.119853 -0.507928
O 3.434171 1.959269 -0.775748
O -0.573487 1.386652 0.962361
N 2.137169 1.449948 1.693454
C -3.320651 1.462742 0.655279
C -0.440374 -0.973978 0.266841
C 0.925773 -1.048725 -0.142054
C -1.118774 0.324040 0.543359
C -4.543618 1.367719 -0.258106
C -3.649797 1.437700 2.154438
C -1.162060 -2.186121 0.450853
C 1.555197 -2.304556 -0.310272
C -0.534530 -3.435538 0.288797
C 0.830740 -3.492123 -0.081850
C 2.412410 2.951197 -1.189967
H -2.701855 2.346813 0.415898
H -5.199466 2.242039 -0.095813
H -4.242036 1.349261 -1.318965
H -5.123338 0.452890 -0.043584
H -4.280571 2.307977 2.412309
H -2.731010 1.489212 2.762351
H -4.204357 0.519397 2.416749
H -2.216308 -2.124973 0.734667
H 2.601862 -2.329655 -0.627521
H -1.102045 -4.357695 0.449165
H 1.327963 -4.459859 -0.208037
H 1.112626 1.568988 1.574560
H 2.593800 1.635197 2.584285
H 1.937742 3.422620 -0.309194
H 1.647952 2.467766 -1.820566
H 2.977011 3.700835 -1.764696


