%chk=000121205.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121205

0 1
 O    2.120000      0.5433000     -8.9299999E-02
 N   0.2076000     -0.7228000      0.2162000    
 N   -1.924100      0.3784000      0.1807000    
 N   8.7600000E-02   1.648400     -0.1319000    
 N   -2.009800       2.696700     -0.1617000    
 C   -1.811400      -2.006800      0.5298000    
 C   -1.132700     -0.7006000      0.2943000    
 C   -2.159600      -2.724100     -0.7722000    
 C   0.7487000      0.4873000      1.8000000E-03
 C    2.816700     -0.6862000      5.3300001E-02
 C   -1.244900       1.517200     -3.1300001E-02
 C    4.301900     -0.4308000     -8.9800000E-02
 H   -1.165100      -2.651600       1.137200    
 H   -2.727100      -1.845100       1.110800    
 H   -2.832700      -2.118000      -1.387900    
 H   -2.654800      -3.676600     -0.5594000    
 H   -1.259400      -2.930200      -1.361100    
 H    2.622900      -1.118700       1.042300    
 H    2.502000      -1.393500     -0.7235000    
 H    4.870500      -1.359100      1.5100000E-02
 H    4.525000      1.1600000E-02  -1.066300    
 H    4.645600      0.2813000      0.6678000    
 H   -1.541400       3.577700     -0.3223000    
 H   -3.016900       2.646100     -9.3000002E-02


%chk=000121205-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121205

0 1
O 2.114798 0.531435 -0.110969
N 0.160249 -0.748232 0.240402
N -1.968757 0.411164 0.224668
N 0.110498 1.657640 -0.135562
N -1.971548 2.728162 -0.145171
C -1.921936 -2.027768 0.561073
C -1.210977 -0.714573 0.343344
C -2.146771 -2.771371 -0.783418
C 0.748461 0.464925 0.002804
C 2.878414 -0.745623 0.037462
C -1.252948 1.571363 -0.017115
C 4.349510 -0.375000 -0.118232
H -1.307449 -2.655890 1.229828
H -2.892392 -1.825959 1.045057
H -2.769017 -2.165274 -1.465648
H -2.660994 -3.733164 -0.608592
H -1.182231 -2.977681 -1.280035
H 2.650270 -1.179765 1.027188
H 2.532948 -1.454632 -0.736021
H 4.975155 -1.280693 -0.016232
H 4.540442 0.072164 -1.108665
H 4.656017 0.350325 0.654630
H -1.478984 3.600566 -0.320854
H -2.984160 2.691781 -0.060340


