%chk=000078251.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078251

0 1
 O    2.650600     -0.1886000     -7.9999998E-04
 O    1.552400       1.824800      1.2000001E-03
 N  -0.8527000      -1.965500      6.0000003E-04
 N   0.4256000      -1.552000     -8.9999998E-04
 C   -1.021600      0.2210000     -8.9999998E-04
 C   -1.770800     -0.9502000      3.0000001E-04
 C   0.3189000     -0.2213000     -1.6000000E-03
 C   -1.682300       1.460800     -8.9999998E-04
 C   -3.167400     -0.9609000      1.3000000E-03
 C   -3.082800       1.472400       0.000000    
 C    1.508900      0.5830000     -5.0000002E-04
 C   -3.810800      0.2810000      6.0000003E-04
 C    3.903800      0.5046000      1.1000000E-03
 C    5.028100     -0.5092000      5.0000002E-04
 H   -1.132900       2.397000     -1.7000000E-03
 H   -1.032600      -2.961700      1.4000000E-03
 H   -3.731100      -1.887100      2.2000000E-03
 H   -3.609500       2.423300     -1.9999999E-04
 H   -4.897300      0.3182000      1.1000000E-03
 H    3.971700       1.135100     -0.8922000    
 H    3.970400       1.132600      0.8963000    
 H    6.002500     -1.2700000E-02  1.9000000E-03
 H    4.961100      -1.159400      0.8790000    
 H    4.962400      -1.156900     -0.8800000    


%chk=000078251-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000078251

0 1
O 2.712183 -0.234016 0.003064
O 1.510776 1.768550 0.002351
N -0.972378 -2.086362 0.001869
N 0.356727 -1.697336 0.003433
C -1.039396 0.164649 0.001665
C -1.862328 -1.011194 0.000633
C 0.322199 -0.328947 0.003637
C -1.645167 1.448629 0.000843
C -3.275450 -0.952752 -0.001227
C -3.049894 1.514466 -0.001041
C 1.536400 0.507444 0.005478
C -3.852486 0.330622 -0.002064
C 3.976369 0.564613 0.000593
C 5.123456 -0.439842 -0.001787
H -1.019524 2.344926 0.001730
H -1.179895 -3.082517 0.001690
H -3.895280 -1.855005 -0.001984
H -3.547069 2.490403 -0.001708
H -4.943878 0.426926 -0.003505
H 3.976457 1.214235 -0.893724
H 3.979983 1.214056 0.895032
H 6.090466 0.095775 -0.003620
H 5.082922 -1.084616 0.892455
H 5.079408 -1.084409 -0.896011


