%chk=000054426.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054426

0 1
 O    2.502100       2.480500      6.8999998E-02
 N   0.5296000       1.440400     -1.6700000E-02
 N  -0.2101000      0.3113000     -3.0000000E-03
 N   -1.552600       2.159200     -1.2300000E-02
 C   -2.613300     -4.0399998E-02 -4.6999999E-03
 C   -1.450200      0.8012000     -8.2000000E-03
 C    2.738200      0.1639000      4.9000001E-03
 C    1.924800       1.399000      1.5400000E-02
 C  -0.2958000       2.536900     -9.8000001E-03
 C   -2.470100      -1.427800      4.4000000E-03
 C   -3.886500      0.5292000     -1.0100000E-02
 C    3.146700     -0.3841000      -1.207100    
 C    3.089100     -0.4420000       1.207500    
 C   -3.600100      -2.245700      8.0000004E-03
 C   -5.016400     -0.2885000     -6.3999998E-03
 C    3.913600      -1.549300      -1.216800    
 C    3.856000      -1.607000       1.197800    
 C   -4.873200      -1.676100      2.6000000E-03
 C    4.268200      -2.160700     -1.4400000E-02
 H   6.7100003E-02   3.555200     -4.9999999E-03
 H   -1.494500      -1.907500      8.8999998E-03
 H   -4.031300       1.606700     -1.7300000E-02
 H    2.874900      8.5100003E-02  -2.148900    
 H    2.772200     -1.8200001E-02   2.156600    
 H   -3.489100      -3.326000      1.5100000E-02
 H   -6.008100      0.1547000     -1.0600000E-02
 H    4.234400      -1.980400      -2.160600    
 H    4.132100      -2.083400       2.134000    
 H   -5.753100      -2.312700      5.5000000E-03
 H    4.865300      -3.068000     -2.1800000E-02


%chk=000054426-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054426

0 1
O 2.470962 2.435259 0.825345
N 0.524004 1.293295 0.402274
N -0.285462 0.183118 0.084464
N -1.575306 2.092661 0.403202
C -2.751534 -0.069006 -0.180975
C -1.539728 0.711053 0.096039
C 2.791187 0.088476 0.331720
C 1.967173 1.315244 0.532145
C -0.291701 2.417025 0.584227
C -2.677020 -1.455244 -0.486223
C -4.017758 0.573679 -0.141972
C 2.293470 -1.201007 -0.009452
C 4.195194 0.268971 0.505361
C -3.853583 -2.184955 -0.747754
C -5.191855 -0.162263 -0.404820
C 3.189462 -2.278610 -0.171071
C 5.080781 -0.811586 0.342881
C -5.114921 -1.542053 -0.708059
C 4.579824 -2.091753 0.003194
H 0.110758 3.392344 0.837115
H -1.698789 -1.946135 -0.515653
H -4.057651 1.641377 0.094855
H 1.219628 -1.340992 -0.141897
H 4.562350 1.266372 0.767103
H -3.790946 -3.253222 -0.982501
H -6.165606 0.338517 -0.373258
H 2.800061 -3.268062 -0.433859
H 6.156726 -0.660206 0.479412
H -6.028174 -2.112114 -0.911810
H 5.268356 -2.934682 -0.124034


