%chk=000039444.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039444

0 1
 O  -0.1891000     -0.7782000     -0.7020000    
 N    2.348400      7.0000002E-03  0.2623000    
 N    3.990500       1.637400      0.3661000    
 N    4.663000     -0.4754000     -0.1621000    
 C   -1.432200     -0.3647000     -0.3275000    
 C   -1.728300      0.9935000     -0.2142000    
 C   0.5250000      -1.600300      0.2189000    
 C    2.016200      -1.399600      2.0300001E-02
 C   -2.414200      -1.317600     -5.6200001E-02
 C   -3.006200       1.399200      0.1704000    
 C  -0.6897000       2.027400     -0.5005000    
 C   -3.692200     -0.9120000      0.3283000    
 C   -3.988200      0.4463000      0.4416000    
 C    3.596900      0.3370000      0.1545000    
 H   0.2558000      -1.345800       1.252500    
 H   0.2655000      -2.648800      3.5500001E-02
 H    2.276600      -1.665600      -1.011300    
 H    2.559900      -2.053700      0.7115000    
 H   -2.201700      -2.379200     -0.1485000    
 H   -3.252400       2.453500      0.2647000    
 H   6.7800000E-02   2.029600      0.2899000    
 H  -0.2042000       1.832500      -1.462600    
 H   -1.121100       3.032600     -0.5560000    
 H   -4.457500      -1.653700      0.5376000    
 H   -4.983300      0.7620000      0.7410000    
 H    3.316300       2.355600      0.6075000    
 H    4.962000       1.917300      0.2864000    
 H    5.604900     -0.1032000     -0.2179000    
 H    4.551500      -1.465000     -0.3515000    


%chk=000039444-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039444

0 1
O 0.036508 -0.398704 -0.251310
N 2.793878 -0.700804 0.956270
N 4.229099 1.090710 1.432463
N 4.407599 0.113581 -0.687872
C -1.331348 -0.160766 -0.038687
C -1.815721 1.076185 -0.562230
C 0.615189 -1.636350 0.299063
C 2.119444 -1.602239 0.012830
C -2.195934 -1.058416 0.634023
C -3.185053 1.374908 -0.389303
C -0.866584 2.019088 -1.272606
C -3.562436 -0.728295 0.790108
C -4.063400 0.487128 0.279952
C 3.754081 0.100058 0.558587
H 0.452342 -1.679144 1.393581
H 0.136810 -2.512894 -0.186935
H 2.244302 -1.339824 -1.066045
H 2.502373 -2.637683 0.146151
H -1.821044 -2.004050 1.036306
H -3.568131 2.323302 -0.785725
H -0.011164 2.282373 -0.623834
H -0.435238 1.545904 -2.174547
H -1.382943 2.946317 -1.575254
H -4.228252 -1.425143 1.311871
H -5.120890 0.745604 0.400074
H 3.725270 1.157279 2.315478
H 5.221828 1.320997 1.432327
H 4.780565 0.990886 -1.045823
H 4.208851 -0.621909 -1.360214


