%chk=000072671.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072671

0 1
 S   -1.440600      -1.102300      -1.302900    
 O    1.282700      -3.438000     -0.6427000    
 O    4.548500      0.8543000      0.8882000    
 O    3.768000       2.720200      3.4800000E-02
 N   0.2558000      0.9309000      -1.077600    
 N    3.642500       1.499800      0.3049000    
 N   0.3484000      -2.894400       1.379700    
 N   -2.479100     -0.1357000      0.9599000    
 N   -3.497100      0.5901000      -1.100300    
 C    1.079200      -1.144000     -0.1493000    
 C   0.1150000     -0.3826000     -0.7899000    
 C    2.264200     -0.5172000      0.2199000    
 C    2.446200      0.8328000     -5.8899999E-02
 C    1.420900       1.505900     -0.7036000    
 C   0.9150000      -2.559700      0.1548000    
 C   -2.599500     -0.1061000     -0.3796000    
 C   -3.370900      0.6270000       1.625900    
 C   -4.357600       1.330600     -0.3710000    
 C   -4.341700       1.388400       1.007600    
 H    3.033800      -1.098000      0.7236000    
 H    1.484300       2.559900     -0.9565000    
 H   4.8300002E-02  -2.189400       2.045500    
 H   0.2163000      -3.864400       1.646000    
 H   -3.280300      0.6087000       2.706700    
 H   -5.084700       1.895300     -0.9448000    
 H   -5.044200       1.991200       1.567100    


%chk=000072671-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000072671

0 1
S -1.282642 -0.661556 -1.678410
O 1.552248 -3.263278 0.339487
O 4.867532 0.625653 0.960566
O 4.403467 2.555306 -0.170550
N 0.626159 1.203604 -1.183225
N 4.094637 1.376390 0.253005
N -0.494594 -2.390655 1.065983
N -2.238240 -0.046084 0.831008
N -3.751094 0.250932 -1.054276
C 1.091601 -0.917724 -0.047692
C 0.271814 -0.060957 -0.834633
C 2.386156 -0.448807 0.284057
C 2.749776 0.854261 -0.095088
C 1.836772 1.677731 -0.794977
C 0.727143 -2.305057 0.449282
C -2.551053 -0.076218 -0.502529
C -3.196350 0.458893 1.665865
C -4.705237 0.710322 -0.194273
C -4.458943 0.873516 1.190261
H 3.082397 -1.096578 0.823976
H 2.090797 2.708575 -1.054872
H -1.104089 -1.557704 1.165079
H -0.793803 -3.301243 1.416228
H -2.936972 0.503642 2.728566
H -5.675865 0.952942 -0.639056
H -5.218215 1.277392 1.863718


%chk=000072671-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000072671

0 1
S -1.282642 -0.661556 -1.678410
O 1.552248 -3.263278 0.339487
O 4.867532 0.625653 0.960566
O 4.403467 2.555306 -0.170550
N 0.626159 1.203604 -1.183225
N 4.094637 1.376390 0.253005
N -0.494594 -2.390655 1.065983
N -2.238240 -0.046084 0.831008
N -3.751094 0.250932 -1.054276
C 1.091601 -0.917724 -0.047692
C 0.271814 -0.060957 -0.834633
C 2.386156 -0.448807 0.284057
C 2.749776 0.854261 -0.095088
C 1.836772 1.677731 -0.794977
C 0.727143 -2.305057 0.449282
C -2.551053 -0.076218 -0.502529
C -3.196350 0.458893 1.665865
C -4.705237 0.710322 -0.194273
C -4.458943 0.873516 1.190261
H 3.082397 -1.096578 0.823976
H 2.090797 2.708575 -1.054872
H -1.104089 -1.557704 1.165079
H -0.793803 -3.301243 1.416228
H -2.936972 0.503642 2.728566
H -5.675865 0.952942 -0.639056
H -5.218215 1.277392 1.863718


