%chk=000003117.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003117

0 1
 S   0.4366000       1.214200       1.288400    
 S  -0.8853000       1.894300     -0.1414000    
 S    2.563400       2.530800     -0.3252000    
 S  -0.6488000     -0.3234000      -2.112400    
 N    2.543400     -0.1632000      0.2701000    
 N   -2.635700     -0.1810000     -0.2029000    
 C    3.801500     -0.4383000     -0.4310000    
 C    1.936700      -1.354400      0.8696000    
 C   -3.227200      -1.448500     -0.6386000    
 C   -3.334600      0.4304000      0.9316000    
 C    3.558100     -0.8371000      -1.871800    
 C    2.435600      -1.580100       2.281900    
 C   -2.600900      -2.627900      7.6300003E-02
 C   -4.396500       1.406300      0.4685000    
 C    1.945800       1.110600      0.3557000    
 C   -1.492100      0.3674000     -0.8187000    
 H    4.447000      0.4443000     -0.4029000    
 H    4.343500      -1.231900      9.5799997E-02
 H   0.8456000      -1.302700      0.8617000    
 H    2.185500      -2.226700      0.2535000    
 H   -4.307700      -1.425300     -0.4547000    
 H   -3.109300      -1.570100      -1.719400    
 H   -3.796600     -0.3597000       1.535600    
 H   -2.635000      0.9357000       1.600600    
 H    2.949200      -1.744100      -1.940000    
 H    3.038400     -4.7699999E-02  -2.423600    
 H    4.509500      -1.031800      -2.376600    
 H    3.520900      -1.722900       2.303100    
 H    2.203400     -0.7335000       2.935000    
 H    1.971000      -2.474400       2.709000    
 H   -1.523500      -2.688800     -0.1046000    
 H   -2.748000      -2.558100       1.159100    
 H   -3.054900      -3.563200     -0.2658000    
 H   -3.969900       2.220200     -0.1254000    
 H   -5.148700      0.9069000     -0.1510000    
 H   -4.907800       1.847500       1.329800    


%chk=000003117-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003117

0 1
S 0.916952 0.027272 2.259423
S -1.162285 0.651669 1.811683
S 1.388761 2.029633 -0.134528
S -0.794875 -2.080323 0.225091
N 2.853846 -0.234083 0.354567
N -3.046146 -0.531765 0.243580
C 3.805781 0.149934 -0.727497
C 3.062260 -1.587918 0.947524
C -3.695909 -1.471401 -0.714164
C -3.860471 0.650445 0.646845
C 3.325120 -0.316956 -2.116821
C 3.987443 -1.571652 2.181820
C -4.403613 -2.638796 0.001717
C -3.676384 1.853671 -0.302589
C 1.818321 0.601202 0.670121
C -1.765216 -0.757369 0.666890
H 3.904739 1.249017 -0.713598
H 4.785167 -0.298423 -0.476327
H 2.073758 -2.011151 1.197399
H 3.501365 -2.216571 0.151395
H -4.415321 -0.881493 -1.312049
H -2.913611 -1.859168 -1.389037
H -4.916725 0.324730 0.661389
H -3.605288 0.931260 1.685700
H 3.190984 -1.413172 -2.152757
H 2.364846 0.164854 -2.364427
H 4.068551 -0.034785 -2.884401
H 4.966721 -1.115656 1.948405
H 3.532458 -1.004348 3.013012
H 4.164009 -2.605177 2.531450
H -3.669439 -3.236112 0.567831
H -5.180259 -2.276154 0.699613
H -4.889657 -3.296932 -0.741323
H -2.627425 2.195247 -0.303997
H -3.960055 1.590747 -1.337561
H -4.315802 2.693524 0.024919


