%chk=000029376.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029376

0 1
 O   0.8811000       1.310300      0.5394000    
 N  -0.9546000     -1.7899999E-02  2.2800000E-02
 N    1.246200     -0.7651000     -0.3806000    
 C   -1.955000      0.9360000      0.4832000    
 C   -1.470900      -1.274900     -0.5132000    
 C   0.4240000      0.2549000      9.0300001E-02
 C   -2.385700       1.869000     -0.6296000    
 C   -1.617400      -2.322000      0.5714000    
 C    2.687800     -0.6590000     -0.3760000    
 C    3.144600      0.6687000      0.1924000    
 H   -2.814200      0.3978000      0.8976000    
 H   -1.520900       1.531500       1.294200    
 H   -2.455600      -1.079100     -0.9556000    
 H  -0.8601000      -1.644300      -1.340800    
 H   -1.532500       2.428000      -1.028400    
 H   -2.837200       1.316100      -1.459600    
 H   -3.122200       2.589100     -0.2598000    
 H  -0.6532000      -2.553600       1.035100    
 H   -2.292700      -1.983000       1.363800    
 H   -2.024500      -3.247900      0.1533000    
 H   0.8747000      -1.661900     -0.6618000    
 H    3.078700      -1.491200      0.2175000    
 H    3.032200     -0.7838000      -1.407200    
 H    2.853400       1.528900     -0.4200000    
 H    2.902100      0.7960000       1.252900    
 H    4.242700      0.6753000      0.1633000    


%chk=000029376-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000029376

0 1
O 0.571023 1.215805 1.384204
N -1.039091 -0.001675 0.195161
N 1.261580 -0.614046 0.107807
C -2.108355 0.863680 0.740807
C -1.426652 -1.083376 -0.729065
C 0.279229 0.250884 0.602280
C -2.502818 2.011377 -0.213901
C -1.603637 -2.459764 -0.041680
C 2.685304 -0.389144 0.402321
C 3.460757 0.231881 -0.780520
H -2.988167 0.229747 0.968601
H -1.734451 1.285179 1.688417
H -2.381201 -0.789568 -1.203556
H -0.696375 -1.156575 -1.560657
H -1.638405 2.676305 -0.381433
H -2.845231 1.628573 -1.193821
H -3.323498 2.610713 0.222720
H -0.668201 -2.793565 0.442058
H -2.381247 -2.402610 0.740571
H -1.910010 -3.227760 -0.776410
H 1.014825 -1.383789 -0.511746
H 2.717607 0.289005 1.271534
H 3.148557 -1.349837 0.701561
H 3.425668 -0.417390 -1.675657
H 3.030827 1.213409 -1.045776
H 4.522763 0.380441 -0.509216


