%chk=000021216.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021216

0 1
 O   -1.902300     -0.5165000       2.593100    
 N    1.432800     -0.9024000     -6.2000002E-03
 N   -2.956900     -0.2690000     -0.9764000    
 C  -0.4985000     -8.1600003E-02  0.7171000    
 C   0.3354000       1.008600      0.3415000    
 C    1.541000      0.4662000     -0.1088000    
 C    2.458900      -1.856400     -0.3693000    
 C   -1.871800      7.1000000E-03   1.253500    
 C   0.2040000      -1.243000      0.4918000    
 C   -2.900900     -0.7671000      0.3962000    
 C   0.1798000       2.409000      0.3413000    
 C    2.603100       1.257500     -0.5608000    
 C    2.014900      -2.765200      -1.517200    
 C    2.940700      -2.665400      0.8364000    
 C    1.233500       3.213000     -0.1082000    
 C    2.425700       2.644000     -0.5518000    
 C   -3.361400       1.136700     -0.9951000    
 C   -3.877900      -1.075500      -1.777100    
 H    3.324900      -1.295500     -0.7338000    
 H   -2.181200       1.049700       1.367000    
 H  -7.2800003E-02  -2.277500      0.6474000    
 H   -3.884300     -0.7118000      0.8840000    
 H   -2.635800      -1.833400      0.3962000    
 H  -0.7386000       2.873700      0.6877000    
 H    3.538500      0.8354000     -0.9099000    
 H    1.181500      -3.412500      -1.223300    
 H    2.839600      -3.409100      -1.840900    
 H    1.689600      -2.174000      -2.380400    
 H    2.149300      -3.308600       1.236200    
 H    3.272500      -2.003500       1.643900    
 H    3.783800      -3.307000      0.5586000    
 H    1.119700       4.293800     -0.1094000    
 H    3.231200       3.287600     -0.8962000    
 H   -1.757900      -1.477100       2.544500    
 H   -2.592100       1.798700     -0.5927000    
 H   -4.297700       1.307800     -0.4514000    
 H   -3.511900       1.473200      -2.028300    
 H   -3.883100     -0.7351000      -2.818600    
 H   -4.904400      -1.033900      -1.394900    
 H   -3.557800      -2.123400      -1.793700    


%chk=000021216-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000021216

0 1
O -2.168380 1.435848 1.986209
N 1.367914 -0.646611 -0.220304
N -3.022285 -1.181532 -0.659842
C -0.552984 0.452090 0.392320
C 0.571402 1.358322 0.574344
C 1.760286 0.644156 0.180556
C 2.256340 -1.697121 -0.772934
C -2.000397 0.776588 0.655588
C -0.024248 -0.746042 -0.095079
C -2.974857 -0.427295 0.619256
C 0.686034 2.698050 1.033784
C 3.041173 1.241123 0.226880
C 2.042510 -1.853017 -2.297683
C 2.073919 -3.034156 -0.020111
C 1.960670 3.295196 1.076996
C 3.125393 2.574254 0.678453
C -3.352275 -0.332107 -1.824366
C -3.933872 -2.341050 -0.550072
H 3.289801 -1.344804 -0.598794
H -2.354957 1.567284 -0.032110
H -0.579507 -1.631631 -0.396871
H -3.980966 -0.022330 0.897456
H -2.677597 -1.137421 1.416904
H -0.207264 3.244694 1.352332
H 3.945465 0.701929 -0.075996
H 1.017445 -2.204811 -2.514016
H 2.754118 -2.588895 -2.714183
H 2.191149 -0.888916 -2.814650
H 1.059896 -3.444992 -0.174390
H 2.231268 -2.899429 1.064148
H 2.799924 -3.779793 -0.390969
H 2.065449 4.329102 1.424812
H 4.104395 3.064799 0.724441
H -1.596124 0.949284 2.634456
H -2.558273 0.416525 -1.987307
H -4.327818 0.205901 -1.713783
H -3.410021 -0.961995 -2.729942
H -3.902494 -2.930179 -1.484213
H -4.998435 -2.050095 -0.359983
H -3.608697 -2.993424 0.280664


