%chk=000046047.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046047

1 1
 O    2.968100      -1.908000     -9.9999997E-05
 N   -1.971200     -0.4644000     -9.9999997E-05
 C  -0.6148000      0.2448000     -9.9999997E-05
 C   -2.740900     -5.1399998E-02  -1.251400    
 C   -2.732800     -6.7699999E-02   1.261500    
 C   -1.827700      -1.984900     -9.8999999E-03
 C   0.4879000     -0.5418000     -9.9999997E-05
 C  -0.6316000       1.599200       0.000000    
 C    1.723900      0.1045000      9.9999997E-05
 C   0.6046000       2.245500      1.9999999E-04
 C    1.782300       1.498100      1.9999999E-04
 C    2.952300     -0.6738000     -3.0000001E-04
 H   -2.129800     -0.2798000      -2.130600    
 H   -3.672300     -0.6261000      -1.282100    
 H   -2.982900       1.013900      -1.207200    
 H   -2.969800      0.9994000       1.234400    
 H   -3.666200     -0.6393000       1.288500    
 H   -2.117700     -0.3112000       2.133700    
 H   -1.319600      -2.313800      0.9026000    
 H   -2.836500      -2.413700     -1.2500000E-02
 H   -1.319300      -2.301600     -0.9266000    
 H   0.4913000      -1.622200      9.9999997E-05
 H   -1.531400       2.201900      1.2000001E-03
 H   0.6502000       3.330700      6.0000003E-04
 H    2.737800       2.016400      3.9999999E-04
 H    3.898300     -0.1061000     -3.9999999E-04


%chk=000046047-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046047

1 1
O 3.038192 -1.930272 -0.006991
N -2.006800 -0.486645 0.000078
C -0.639981 0.207123 0.000942
C -2.792713 -0.072313 -1.254130
C -2.788672 -0.084195 1.260687
C -1.888628 -2.012223 -0.007263
C 0.544791 -0.539556 -0.001699
C -0.610916 1.625511 0.003992
C 1.791038 0.141236 -0.001102
C 0.631512 2.292380 0.004600
C 1.836504 1.553192 0.002098
C 3.047507 -0.674861 -0.003970
H -2.214644 -0.365773 -2.142679
H -3.768037 -0.582873 -1.244217
H -2.941649 1.015860 -1.253132
H -2.939492 1.003671 1.269574
H -3.763209 -0.596236 1.250013
H -2.206863 -0.384292 2.144562
H -1.352517 -2.345726 0.892685
H -2.906279 -2.430883 -0.006670
H -1.357119 -2.337446 -0.912942
H 0.591090 -1.632993 -0.004151
H -1.527394 2.224974 0.005746
H 0.653642 3.385891 0.006973
H 2.801955 2.071775 0.002572
H 4.000883 -0.096726 -0.003476


