%chk=000019768.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019768

0 1
 O   -2.117000      0.5044000       2.416900    
 N   -2.895300      0.4777000      0.2364000    
 N   7.4100003E-02   1.904800      0.5016000    
 N    2.252700      -2.570600     -0.4990000    
 C   0.4060000     -0.2958000      0.4328000    
 C    1.608600      0.3568000      4.6999999E-03
 C  -0.5087000      0.6931000      0.7353000    
 C    3.328100      -1.564100     -0.4450000    
 C   0.1402000      -1.760700      0.5015000    
 C    2.880700     -0.1066000     -0.4199000    
 C   -4.292700      0.3346000      0.6511000    
 C   -2.702300      0.6150000      -1.214600    
 C   -4.943900     -0.8548000     -5.0999999E-02
 C   -3.311300     -0.5744000      -1.951800    
 C   -4.778800     -0.7656000      -1.568000    
 C    1.357800       1.732100      4.0600002E-02
 C    1.381500      -2.628900      0.6756000    
 C   -1.881000      0.5536000       1.208500    
 C    3.823200      0.8759000     -0.8115000    
 C    4.342000      -1.858000      0.6715000    
 C    2.297700       2.693000     -0.3405000    
 C    3.538600       2.238700     -0.7751000    
 H    3.862100      -1.694200      -1.396700    
 H  -0.5338000      -1.967700       1.342700    
 H  -0.3986000      -2.062500     -0.4063000    
 H   -4.809600       1.265800      0.3908000    
 H   -4.369600      0.2091000       1.735500    
 H   -1.646600      0.7021000      -1.478200    
 H   -3.190600       1.547900      -1.520400    
 H   -6.007700     -0.9031000      0.2060000    
 H   -4.480900      -1.783800      0.3048000    
 H   -2.752400      -1.484500      -1.701200    
 H   -3.225600     -0.4271000      -3.033900    
 H   -5.171100      -1.673800      -2.039000    
 H   -5.368700      7.6499999E-02  -1.950300    
 H    1.901700      -2.396500       1.610200    
 H    1.038200      -3.666400      0.7764000    
 H  -0.3754000       2.800900      0.6307000    
 H    2.689900      -3.485800     -0.6165000    
 H    4.811600      0.5667000      -1.148200    
 H    3.950200      -1.611500       1.663900    
 H    4.636700      -2.913300      0.6691000    
 H    5.256500      -1.269900      0.5338000    
 H    2.071500       3.753300     -0.3036000    
 H    4.295700       2.955000      -1.082600    


%chk=000019768-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000019768

0 1
O -2.216631 2.018373 1.647766
N -2.874690 0.459916 0.036800
N 0.296466 2.245989 0.467507
N 2.176308 -2.315597 -0.896304
C 0.378462 0.006323 -0.011365
C 1.732190 0.546867 -0.071456
C -0.472840 1.081440 0.315993
C 3.348713 -1.488726 -0.531882
C -0.048311 -1.427165 -0.214911
C 3.031701 -0.001477 -0.325441
C -4.265941 0.500847 0.551052
C -2.763160 0.025516 -1.377335
C -4.941227 -0.876568 0.381708
C -3.418892 -1.354162 -1.594838
C -4.880925 -1.352309 -1.089027
C 1.631693 1.962740 0.225736
C 1.069859 -2.446614 0.078279
C -1.906417 1.212100 0.698759
C 4.127295 0.891037 -0.327623
C 4.135902 -2.045516 0.703618
C 2.738150 2.839453 0.234931
C 3.993853 2.281545 -0.058678
H 4.034809 -1.551604 -1.401287
H -0.933795 -1.644086 0.416054
H -0.348985 -1.597490 -1.269064
H -4.841712 1.274037 -0.004129
H -4.225238 0.819049 1.604737
H -1.705189 0.026494 -1.677090
H -3.287097 0.775322 -2.012853
H -5.990927 -0.806282 0.725023
H -4.428697 -1.611215 1.033027
H -2.839791 -2.125035 -1.051885
H -3.379606 -1.606401 -2.671791
H -5.325966 -2.359881 -1.189783
H -5.486149 -0.667711 -1.719183
H 1.410992 -2.334179 1.130795
H 0.644835 -3.464596 -0.012692
H -0.097019 3.108108 0.844075
H 2.476542 -3.222425 -1.270253
H 5.127171 0.495330 -0.546064
H 3.526260 -1.991887 1.623532
H 4.416807 -3.101752 0.529297
H 5.058667 -1.466485 0.884108
H 2.622559 3.905589 0.456690
H 4.883674 2.920489 -0.077451


