%chk=000103630.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103630

0 1
 S  -0.6203000     -0.8207000     -0.1365000    
 S    4.741500      -1.313800      0.1602000    
 N   -4.837000      0.7281000      0.8245000    
 N   -4.009500      -1.316800      0.5681000    
 N    2.354500     -0.2178000     -0.5642000    
 N    4.053700       1.215800      0.3136000    
 N    2.530100       3.184600      6.8499997E-02
 C   -3.324500     -0.4168000     -0.1894000    
 C   -2.186400     -0.8835000      -1.036700    
 C   -3.802800      0.8511000     -5.9900001E-02
 C   0.4660000      -1.438900      -1.451800    
 C    1.901100      -1.541600     -0.9601000    
 C   -3.419100       2.141800     -0.6526000    
 C   -4.922800     -0.5911000       1.173800    
 C    3.539000     -5.6299999E-02 -8.4799998E-02
 C    4.302800      -1.792800       1.846900    
 C    3.233700       2.268700      0.1804000    
 H   -2.373600      -1.914000      -1.357700    
 H   -2.111900     -0.2622000      -1.935700    
 H   0.4083000     -0.7551000      -2.305600    
 H   0.1175000      -2.425900      -1.772500    
 H   -5.432500       1.473100       1.161200    
 H    2.517800      -1.927500      -1.780700    
 H    1.950200      -2.253300     -0.1277000    
 H   -2.362900       2.355100     -0.4595000    
 H   -3.570900       2.125200      -1.736700    
 H   -4.007300       2.969700     -0.2436000    
 H   -5.667400     -0.9539000       1.868000    
 H    4.998300       1.268700      0.6796000    
 H    4.961300      -2.600900       2.176100    
 H    3.269200      -2.144200       1.894800    
 H    4.424900     -0.9450000       2.526500    


%chk=000103630-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000103630

0 1
S -0.148231 0.765798 -1.064582
S 2.234888 -1.867661 1.001368
N -3.981805 0.197540 1.549820
N -2.003965 -0.863908 1.753350
N 2.978843 -0.416167 -1.355706
N 4.178829 0.034794 0.616308
N 5.583516 1.944387 -0.335537
C -2.201005 -0.485894 0.405018
C -1.185021 -0.797006 -0.643992
C -3.426900 0.183007 0.260120
C 0.849713 0.084991 -2.519953
C 1.886529 -0.995152 -2.139779
C -4.095551 0.799134 -0.933549
C -3.096232 -0.440855 2.412831
C 3.158000 -0.643876 -0.104514
C 1.371978 -0.637984 2.177189
C 4.919582 1.044731 0.095326
H -0.491256 -1.567302 -0.271788
H -1.647286 -1.128570 -1.589870
H 1.356539 0.965051 -2.950310
H 0.139220 -0.319964 -3.263211
H -4.879446 0.609782 1.802640
H 2.322403 -1.383526 -3.081115
H 1.387938 -1.839759 -1.618894
H -3.402640 0.789124 -1.790134
H -5.013818 0.255571 -1.227984
H -4.370347 1.855308 -0.751978
H -3.286016 -0.569301 3.475553
H 4.394329 -0.313505 1.553221
H 0.351469 -1.020416 2.342055
H 1.297625 0.334413 1.667865
H 1.939116 -0.562987 3.116731


