%chk=000036463.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036463

0 1
 O  -0.7332000      -2.109600     -3.0000001E-04
 N   -1.335000     -0.9832000      3.5000001E-03
 N    1.383700      0.1532000      -1.187600    
 C  -0.6409000      0.2112000      1.9700000E-02
 C   0.8048000      0.1625000      3.2600001E-02
 C   -1.310300       1.430500      2.3600001E-02
 C    1.503600      0.1287000       1.226900    
 C   -2.716100     -0.9547000     -8.6000003E-03
 C   -2.700800       1.447600      1.1000000E-02
 C   -3.409300      0.2513000     -5.2000000E-03
 C    2.891800      8.2699999E-02   1.164800    
 C    3.526900      7.1800001E-02 -7.2200000E-02
 C    2.734700      0.1079000      -1.208400    
 H  -0.7650000       2.370500      3.5900000E-02
 H    1.000100      0.1368000       2.188200    
 H   -3.194400      -1.923300     -2.0800000E-02
 H   -3.232900       2.394300      1.3800000E-02
 H   -4.494600      0.2570000     -1.5000000E-02
 H    3.477800      5.5100001E-02   2.078500    
 H    4.607900      3.5900000E-02 -0.1445000    
 H    3.181100      0.1011000      -2.197200    


%chk=000036463-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000036463

0 1
O -0.927325 -1.661003 1.604019
N -1.450873 -0.697515 0.834906
N 1.417144 1.101998 -0.710112
C -0.664898 0.200163 0.081374
C 0.821374 0.142080 0.086236
C -1.331459 1.180020 -0.697196
C 1.602714 -0.793295 0.823840
C -2.843609 -0.596800 0.793702
C -2.730005 1.283600 -0.740900
C -3.494007 0.367846 0.027291
C 3.011157 -0.728954 0.731345
C 3.617031 0.251495 -0.081788
C 2.769402 1.144103 -0.782637
H -0.675733 1.848396 -1.260348
H 1.092412 -1.533194 1.440262
H -3.346243 -1.340046 1.413806
H -3.215185 2.050067 -1.350706
H -4.587498 0.395608 0.036558
H 3.622883 -1.442641 1.293485
H 4.704510 0.330439 -0.175886
H 3.188109 1.924933 -1.428551


