%chk=000031176.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031176

0 1
 O    3.697100      -1.189800     -2.3000001E-03
 N    2.363900      0.7549000      3.9999999E-04
 N   -2.825800      -1.248100      1.9999999E-04
 C   -1.337200      0.6470000     -3.9999999E-04
 C    1.059200      0.2620000      5.0000002E-04
 C   -1.577700     -0.7429000      9.9999997E-05
 C  -2.1199999E-02   1.139600       0.000000    
 C   0.8298000      -1.108300      6.9999998E-04
 C  -0.4787000      -1.597600      7.9999998E-04
 C   -2.443100       1.507900     -3.9999999E-04
 C   -3.730300      0.9903000     -3.9999999E-04
 C   -3.865900     -0.3831000     -1.9999999E-04
 C    3.563200      2.9600000E-02  6.0000003E-04
 C    4.766700      0.9385000      3.9999999E-04
 H   0.1548000       2.214100     -3.0000001E-04
 H    1.610400      -1.856300      1.4000000E-03
 H  -0.6333000      -2.675300      1.2000001E-03
 H   -2.307300       2.587000     -5.0000002E-04
 H    2.444800       1.769600      3.0000001E-04
 H   -4.596600       1.641400     -3.9999999E-04
 H   -4.847700     -0.8450000     -1.9999999E-04
 H    4.768400       1.548700     -0.9072000    
 H    5.682300      0.3413000      2.9200001E-02
 H    4.740600       1.589400      0.8788000    


%chk=000031176-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000031176

0 1
O 3.728085 -1.201891 0.003973
N 2.395037 0.737650 0.002102
N -2.903451 -1.279602 -0.001407
C -1.347206 0.669248 0.000526
C 1.072460 0.212952 0.001155
C -1.616076 -0.757310 -0.000602
C 0.003791 1.125390 0.001365
C 0.808664 -1.202672 0.000035
C -0.506884 -1.661536 -0.000827
C -2.477061 1.553491 0.000826
C -3.765937 1.017618 0.000036
C -3.930104 -0.406577 -0.001092
C 3.621270 0.057465 0.002354
C 4.832623 0.991580 -0.000963
H 0.197647 2.207256 0.002244
H 1.654107 -1.892488 0.000107
H -0.728657 -2.733134 -0.001651
H -2.318283 2.638546 0.001706
H 2.456435 1.759074 0.002257
H -4.650017 1.663167 0.000268
H -4.936199 -0.843302 -0.001743
H 4.856413 1.612552 -0.915835
H 5.745414 0.380101 0.033047
H 4.824329 1.667323 0.874417


