%chk=000023295.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023295

0 1
 O   0.2608000      -2.446000      2.3499999E-02
 N    1.169000       2.122600      4.3000001E-02
 N   -1.049700       1.387200      0.2326000    
 N   -1.508400     -0.9680000      0.2213000    
 N   0.7516000     -0.1850000      2.9200001E-02
 C   -3.325300      0.6071000      0.4247000    
 C   -1.868300      0.3241000      0.2843000    
 C   0.2596000       1.072900      0.1035000    
 C    2.587800       1.948500     -9.3000002E-02
 C  -0.1836000      -1.146400      9.3900003E-02
 C   -4.022700      0.7488000     -0.9260000    
 C    3.305400       3.280300     -0.1689000    
 C    1.662500      -2.631500     -0.1112000    
 C    1.961500      -4.114800     -0.1570000    
 H   -3.802100     -0.1980000      0.9962000    
 H   -3.466100       1.527500       1.003800    
 H    2.979000       1.382500      0.7604000    
 H    2.810700       1.376700      -1.001500    
 H   0.7839000       3.058500      0.1031000    
 H   -3.590000       1.569200      -1.508500    
 H   -5.087800      0.9556000     -0.7827000    
 H   -3.928400     -0.1690000      -1.516100    
 H    2.956900       3.865700      -1.026400    
 H    3.128200       3.873800      0.7343000    
 H    4.384300       3.129500     -0.2731000    
 H    2.018500      -2.167000      -1.038700    
 H    2.188200      -2.189900      0.7442000    
 H    3.035200      -4.294500     -0.2607000    
 H    1.607200      -4.608000      0.7542000    
 H    1.441600      -4.587300     -0.9970000    


%chk=000023295-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000023295

0 1
O 0.222454 -2.391273 -0.012698
N 1.231876 2.205427 0.066303
N -0.995996 1.513258 0.245470
N -1.491006 -0.864565 0.203383
N 0.819693 -0.113018 0.018778
C -3.336421 0.745659 0.406525
C -1.858953 0.457071 0.286008
C 0.338549 1.173185 0.110097
C 2.686644 2.032187 -0.076256
C -0.149246 -1.070361 0.071233
C -4.091196 0.403580 -0.905032
C 3.390204 3.398987 -0.068765
C 1.678369 -2.687826 -0.157108
C 1.792922 -4.206739 -0.235839
H -3.745169 0.127984 1.227456
H -3.465754 1.809923 0.664309
H 3.061783 1.395127 0.747342
H 2.901758 1.487848 -1.015992
H 0.830714 3.142331 0.135338
H -3.731705 1.029736 -1.741448
H -5.174686 0.580677 -0.783165
H -3.934307 -0.656400 -1.168681
H 3.044450 4.033943 -0.905393
H 3.208735 3.939095 0.878746
H 4.480093 3.264418 -0.176640
H 2.053342 -2.185234 -1.067012
H 2.213263 -2.265689 0.712959
H 2.854133 -4.497431 -0.343077
H 1.391420 -4.678613 0.677007
H 1.233538 -4.598187 -1.102445