%chk=000019491.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019491

0 1
 O   -4.153100     -0.5578000     -0.1720000    
 O   -4.074400       1.723700     -0.4676000    
 N    1.965400      0.1356000       1.039600    
 N    2.624600     -5.9500001E-02 -6.3000000E-03
 N    4.757500      -2.602400     -0.5216000    
 N    5.273000       1.746800      -1.008100    
 C   -2.102300      0.5191000      0.1194000    
 C   -1.282300       1.647300      0.1395000    
 C   -1.567400     -0.7369000      0.4057000    
 C   0.6074000      0.2635000      0.7318000    
 C   7.2499998E-02   1.519500      0.4458000    
 C  -0.2125000     -0.8647000      0.7119000    
 C   -3.514700      0.6520000     -0.2006000    
 C   -5.552900     -0.5579000     -0.4725000    
 C   -6.074700      -1.976600     -0.3903000    
 C    4.054600     -0.1984000      0.2668000    
 C    4.445800      -1.539500     -0.1749000    
 C    4.733400      0.8864000     -0.4464000    
 H   -1.678700       2.635100     -8.0399998E-02
 H   -2.167300      -1.642600      0.4021000    
 H   0.7032000       2.404700      0.4597000    
 H   0.1953000      -1.847400      0.9345000    
 H   -6.080000      7.4500002E-02  0.2503000    
 H   -5.707900     -0.1628000      -1.482500    
 H   -7.144300      -2.013800     -0.6148000    
 H   -5.542500      -2.624300      -1.094800    
 H   -5.908400      -2.390800      0.6097000    
 H    4.273500     -0.1044000       1.339200    


%chk=000019491-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000019491

0 1
O -4.234340 -0.595710 -0.227911
O -4.363062 1.593799 0.564990
N 2.062564 0.649439 0.434189
N 2.723696 -0.406885 0.076005
N 5.206124 -1.838989 2.035545
N 5.363495 -0.381728 -2.179093
C -2.182272 0.542988 0.254503
C -1.487563 1.697091 0.697565
C -1.462264 -0.617987 -0.144681
C 0.632293 0.533308 0.344165
C -0.081869 1.692876 0.742183
C -0.059769 -0.628422 -0.101884
C -3.677765 0.597523 0.224933
C -5.729883 -0.637269 -0.293165
C -6.111766 -2.023776 -0.798269
C 4.231936 -0.134768 0.226137
C 4.784853 -1.086349 1.213707
C 4.871293 -0.287184 -1.098308
H -2.065988 2.575837 0.998355
H -2.019124 -1.495557 -0.483106
H 0.483972 2.566840 1.079001
H 0.512544 -1.510371 -0.404011
H -6.123057 -0.427162 0.717787
H -6.065407 0.170687 -0.968084
H -7.211975 -2.103802 -0.864758
H -5.690376 -2.210463 -1.800711
H -5.748808 -2.808952 -0.113395
H 4.385317 0.903385 0.591511


