%chk=000040081.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040081

0 1
 O    3.650700      -1.026800     -2.2000000E-03
 N    1.985100      0.6401000      3.9999999E-04
 C   -1.638500     -0.2430000     -9.9999997E-05
 C  -0.4634000      0.5457000       0.000000    
 C   -1.526200      -1.642800       0.000000    
 C   0.7895000     -8.8900000E-02  9.9999997E-05
 C  -0.2732000      -2.256400      1.9999999E-04
 C   0.8825000      -1.480900      1.9999999E-04
 C   -2.891400      0.3916000     -1.9999999E-04
 C  -0.5757000       1.945600     -9.9999997E-05
 C   -2.727600      -2.536500      6.0000003E-04
 C   -1.828600       2.559100     -1.9999999E-04
 C   -2.984300       1.783700     -3.0000001E-04
 C    3.293300      0.1467000      7.9999998E-04
 C    4.307600       1.262800      1.0000000E-03
 H  -0.1802000      -3.339500      5.0000002E-04
 H    1.801600      -2.046300      7.9999998E-04
 H   0.2819000       2.610400     -1.9999999E-04
 H   -3.820500     -0.1723000     -3.0000001E-04
 H   -2.450600      -3.596700      6.0000003E-04
 H   -3.334200      -2.365200      0.8961000    
 H   -3.335000      -2.365400     -0.8943000    
 H    1.909500       1.650900      7.9999998E-04
 H   -1.902600       3.642800     -3.0000001E-04
 H   -3.959200       2.262400     -3.0000001E-04
 H    4.190200       1.869700     -0.9012000    
 H    5.318000      0.8450000      1.8800000E-02
 H    4.168700       1.890800      0.8855000    


%chk=000040081-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040081

0 1
O 3.737231 -1.005290 0.003460
N 2.034322 0.621458 0.000446
C -1.649577 -0.277096 0.000243
C -0.432634 0.516675 0.000369
C -1.581443 -1.720649 -0.000097
C 0.848876 -0.166776 0.000210
C -0.318552 -2.321294 -0.000277
C 0.890008 -1.568589 -0.000111
C -2.913043 0.404192 0.000481
C -0.555680 1.946920 0.000676
C -2.839512 -2.569726 -0.000221
C -1.802342 2.577873 0.000917
C -2.996577 1.797644 0.000824
C 3.370225 0.205478 0.000103
C 4.367321 1.367170 -0.000179
H -0.245821 -3.415131 -0.000576
H 1.857527 -2.072419 -0.000179
H 0.331402 2.592610 0.000706
H -3.832587 -0.189443 0.000401
H -2.582333 -3.641972 -0.000522
H -3.467983 -2.377140 0.890452
H -3.468151 -2.376684 -0.890679
H 1.898521 1.632779 0.000757
H -1.862960 3.671521 0.001148
H -3.972839 2.294164 0.001023
H 4.261005 1.987428 -0.909631
H 5.385074 0.952676 0.025562
H 4.227921 2.020217 0.881395


