%chk=000006467.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006467

0 1
 O   -4.371300      0.2235000       1.072000    
 N    2.905300       1.121300      0.1647000    
 C   0.4897000     -0.7698000      0.7235000    
 C    1.451400     -0.6658000     -0.4538000    
 C    1.632900      0.8738000     -0.4941000    
 C    1.290000     -9.0499997E-02   1.938500    
 C   0.2179000      -2.264700       1.014700    
 C    1.009200      -1.429400      -1.716400    
 C  -0.7958000      4.1600000E-02  0.2750000    
 C   0.6141000       1.474000      -1.439900    
 C    2.742200      0.5290000       1.560200    
 C  -0.2284000      -3.050900     -0.2229000    
 C   0.7576000      -2.900000      -1.380300    
 C  -0.7414000       1.033100     -0.7945000    
 C   -2.028300     -0.1907000      0.8980000    
 C    3.266600       2.533000      0.2049000    
 C   -1.910600       1.673100      -1.218000    
 C   -3.178300      0.4731000      0.4618000    
 C   -3.122600       1.386200     -0.5933000    
 H    2.399000      -1.163900     -0.1926000    
 H    1.124100       1.397100      0.3314000    
 H    1.449300     -0.8203000       2.741800    
 H   0.6795000      0.7124000       2.373200    
 H  -0.5186000      -2.389300       1.815500    
 H    1.141500      -2.729300       1.387400    
 H    1.791800      -1.355700      -2.480700    
 H   9.5899999E-02  -1.031900      -2.167400    
 H   0.7092000       1.125100      -2.471500    
 H   0.6737000       2.569300      -1.436900    
 H    3.008500       1.261000       2.332900    
 H    3.476700     -0.2823000       1.641500    
 H   -1.222500      -2.718100     -0.5428000    
 H  -0.3223000      -4.111700      3.6699999E-02
 H    1.706700      -3.382400      -1.115500    
 H   0.3729000      -3.420500      -2.264600    
 H   -2.112200     -0.8919000       1.723000    
 H    4.241600       2.659700      0.6878000    
 H    2.533900       3.141800      0.7468000    
 H    3.360900       2.930500     -0.8114000    
 H   -1.879100       2.409700      -2.016000    
 H   -4.022000       1.897000     -0.9282000    
 H   -5.061600      0.7628000      0.6493000    


%chk=000006467-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006467

0 1
O -4.362726 0.193409 1.131467
N 2.965662 1.176201 0.111068
C 0.506172 -0.770771 0.741803
C 1.460719 -0.663440 -0.460704
C 1.602624 0.893418 -0.427839
C 1.382143 -0.085980 1.916962
C 0.159045 -2.248379 1.061595
C 0.993254 -1.419895 -1.722567
C -0.752025 0.068147 0.257128
C 0.666743 1.476285 -1.491829
C 2.850220 0.424920 1.471346
C -0.296977 -3.026077 -0.199423
C 0.736770 -2.904278 -1.348695
C -0.695524 1.009832 -0.861579
C -2.001789 -0.153917 0.873050
C 3.198231 2.628129 0.301564
C -1.889963 1.624820 -1.289747
C -3.177694 0.491517 0.427310
C -3.136527 1.375720 -0.670332
H 2.437636 -1.109331 -0.205592
H 0.998741 1.260631 0.429668
H 1.567555 -0.841718 2.706600
H 0.812110 0.730408 2.398178
H -0.598766 -2.331539 1.864433
H 1.080768 -2.724627 1.456853
H 1.767941 -1.351742 -2.511140
H 0.060786 -1.000997 -2.142341
H 0.815363 1.090902 -2.516894
H 0.675992 2.582366 -1.534846
H 3.232189 1.092970 2.268021
H 3.522746 -0.449875 1.431881
H -1.274092 -2.634487 -0.544741
H -0.452489 -4.091805 0.058551
H 1.690502 -3.377709 -1.033726
H 0.381095 -3.461405 -2.236978
H -2.095417 -0.846649 1.714784
H 4.158909 2.787505 0.821881
H 2.392581 3.142651 0.887126
H 3.264959 3.114609 -0.687923
H -1.845342 2.337813 -2.122102
H -4.045563 1.875492 -1.029064
H -5.129466 0.685875 0.746594


