%chk=000129769.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129769

0 1
 S    3.126600       1.418800     -0.3540000    
 O    2.163400      0.9104000      0.8722000    
 O    4.535600       1.792700      0.3806000    
 O    3.374500      0.3090000      -1.256000    
 O    2.562900       2.655000     -0.8646000    
 N   -2.634400       1.397000      9.8999999E-02
 N   -2.959700     -0.7629000     -0.3032000    
 N    1.822600      -1.774000      0.3827000    
 N   -4.835900      0.7365000     -0.3946000    
 C   -1.401600      0.8105000      0.2234000    
 C   -1.627200     -0.5376000     -3.1500001E-02
 C  -0.5276000      -1.431500      2.0700000E-02
 C   0.7636000     -0.9456000      0.3268000    
 C  -0.1454000       1.326600      0.5280000    
 C   0.9210000      0.4169000      0.5717000    
 C   -3.532400      0.4163000     -0.2161000    
 C  -0.7023000      -2.802400     -0.2282000    
 C   -2.917300       2.805000      0.2745000    
 C   0.3933000      -3.649700     -0.1689000    
 C    1.620200      -3.091100      0.1373000    
 H   1.3300000E-02   2.380500      0.7277000    
 H   -1.680500      -3.211500     -0.4666000    
 H   -3.635200       2.912400       1.091900    
 H   -2.007200       3.355000      0.5180000    
 H   -3.334300       3.191300     -0.6594000    
 H   0.2913000      -4.712200     -0.3560000    
 H    2.510600      -3.709000      0.1966000    
 H   -5.523300      2.7500000E-02 -0.6288000    
 H   -5.196200       1.681200     -0.3069000    
 H    4.452400       2.335400       1.199600    


%chk=000129769-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000129769

0 1
S 2.056518 3.372871 -0.409799
O 2.704070 0.078232 0.429765
O 3.514952 2.485396 -0.023908
O 1.287422 3.712330 0.987864
O 1.008317 1.847492 -1.030916
N -2.021535 1.529801 -0.210540
N -2.785617 -0.632619 -0.247580
N 1.786641 -2.546521 0.569670
N -4.413518 1.145373 -0.510200
C -0.904066 0.698730 -0.053063
C -1.388732 -0.608724 -0.061745
C -0.513518 -1.741016 0.148443
C 0.894814 -1.522588 0.363901
C 0.515105 1.082648 0.135870
C 1.452868 -0.145891 0.332731
C -3.127124 0.671173 -0.343395
C -0.983642 -3.084125 0.150921
C -2.044434 2.997188 -0.219702
C -0.068546 -4.125540 0.367303
C 1.307223 -3.812591 0.572561
H 0.635768 1.735867 1.043828
H -2.049126 -3.269102 -0.013640
H -2.908394 3.358694 0.366296
H -1.126186 3.383938 0.250441
H -2.102390 3.393934 -1.249785
H -0.395288 -5.170296 0.380651
H 2.042653 -4.605966 0.745644
H -5.156133 0.452623 -0.551141
H -4.600245 2.085191 -0.846323
H 3.272941 1.483999 0.241749


