%chk=000080426.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080426

0 1
 O    3.310600      0.5676000     -6.9999998E-04
 N    1.619100      -1.088100      1.9999999E-04
 N   -3.226100      -1.003300     -1.1000000E-03
 C   0.4241000     -0.3678000      6.0000003E-04
 C   -1.991400     -0.3219000      3.0000001E-04
 C  -0.7969000      -1.042100      6.9999998E-04
 C   0.4506000       1.026700      3.9999999E-04
 C   -1.965000       1.072700     -9.9999997E-05
 C  -0.7439000       1.747000       0.000000    
 C    2.918800     -0.5909000     -3.9999999E-04
 H  -0.8193000      -2.130000      6.9999998E-04
 H    1.358800       1.614200      3.9999999E-04
 H   -2.888800       1.645500     -6.9999998E-04
 H  -0.7244000       2.833000     -3.0000001E-04
 H    1.526000      -2.101400      1.9999999E-04
 H   -4.092300     -0.4813000      6.0000003E-04
 H   -3.246500      -2.014400      1.2000001E-03
 H    3.634100      -1.431200     -6.0000003E-04


%chk=000080426-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080426

0 1
O 3.375061 0.528034 0.000041
N 1.640355 -1.087724 0.000034
N -3.230000 -1.028660 -0.000039
C 0.443352 -0.308433 -0.000044
C -2.022074 -0.327037 0.000031
C -0.782777 -1.021555 0.000052
C 0.458871 1.111244 -0.000151
C -2.010305 1.099399 -0.000062
C -0.781697 1.786477 -0.000164
C 2.964956 -0.663593 0.000044
H -0.778784 -2.120899 0.000110
H 1.408209 1.647625 -0.000227
H -2.956947 1.652881 -0.000092
H -0.784797 2.882784 -0.000238
H 1.508789 -2.103304 0.000064
H -4.115085 -0.531223 0.000915
H -3.248408 -2.043736 0.001037
H 3.658779 -1.537980 0.000089


