%chk=000020917.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020917

0 1
 S   1.7800000E-02   1.247800     -0.3651000    
 N    2.616100      0.9787000      0.2850000    
 N    1.565100     -0.9318000     -0.3750000    
 N   -4.974700     -0.1472000      0.1239000    
 C    3.688300      3.5000000E-02  0.3892000    
 C   -2.606100      0.4545000     -8.5400000E-02
 C    2.990100      -1.261900     -5.4800000E-02
 C   -1.175300     -7.2099999E-02 -1.7000000E-03
 C    1.490300      0.3514000     -0.1429000    
 C   -3.611500     -0.6545000      0.2268000    
 H    4.058100     -4.0199999E-02   1.415800    
 H    4.516100      0.2930000     -0.2776000    
 H   -2.798700      0.8507000      -1.091100    
 H   -2.742800       1.281400      0.6239000    
 H    3.473900      -1.682600     -0.9426000    
 H    3.018800      -2.013800      0.7408000    
 H   -1.046000     -0.8863000     -0.7227000    
 H  -0.9782000     -0.4651000       1.001700    
 H    2.704400       1.963300      0.5027000    
 H   -3.449300      -1.043600       1.237600    
 H   -3.488300      -1.489700     -0.4710000    
 H   -5.131700      0.2255000     -0.8119000    
 H   -5.096500      0.6388000      0.7616000    


%chk=000020917-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000020917

0 1
S 0.033114 1.348100 0.045859
N 2.782787 1.030371 0.062743
N 1.601488 -0.955814 0.071398
N -5.124120 -0.170263 -0.033375
C 3.870559 0.034579 0.221627
C -2.650749 0.498850 -0.006138
C 3.065966 -1.312835 0.056692
C -1.231185 -0.070190 0.128526
C 1.556067 0.357854 0.071046
C -3.728213 -0.624506 0.095518
H 4.347641 0.113723 1.219476
H 4.649875 0.156999 -0.551521
H -2.762660 1.018194 -0.978691
H -2.842149 1.249317 0.787300
H 3.302046 -1.806122 -0.904659
H 3.283045 -2.029096 0.867903
H -0.971731 -0.768193 -0.683266
H -1.072265 -0.585134 1.089944
H 2.894113 2.023299 0.258578
H -3.622127 -1.144475 1.067132
H -3.538881 -1.384466 -0.686907
H -5.362113 0.207626 -0.955478
H -5.440606 0.443482 0.723493


