%chk=000002566.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002566

0 1
 O   0.7988000       1.124700      0.5150000    
 O   -1.633100     -0.3237000      0.9428000    
 O   -2.228400      7.3200002E-02  -1.269300    
 N   -3.598200      0.7696000      0.4688000    
 C    2.114300       1.465200     -1.0500000E-02
 C    2.919600      0.1614000     -0.2205000    
 C    1.825700     -0.8329000     -0.1445000    
 C   0.6653000     -0.2215000      0.2989000    
 C    1.907300       2.219700      -1.329900    
 C    2.796300       2.378000       1.009800    
 C    1.858000      -2.191800     -0.4009000    
 C  -0.5023000     -0.9312000      0.5043000    
 C   0.6867000      -2.928800     -0.2088000    
 C  -0.4864000      -2.302100      0.2420000    
 C   -2.478600      0.1714000     -7.1599998E-02
 C   -4.645300       1.368800     -0.3255000    
 H    3.636700     -1.6600000E-02  0.5883000    
 H    3.444300      0.1388000      -1.180400    
 H    2.860800       2.536000      -1.765100    
 H    1.382000       1.596600      -2.062700    
 H    1.282900       3.107200      -1.175900    
 H    3.796600       2.675000      0.6783000    
 H    2.202600       3.282900       1.182200    
 H    2.884700       1.878400       1.981300    
 H    2.766800      -2.678600     -0.7376000    
 H   0.6835000      -3.997700     -0.4043000    
 H   -1.384400      -2.897100      0.3881000    
 H   -3.691300      0.7895000       1.479600    
 H   -4.435100       1.281800      -1.394000    
 H   -4.723600       2.422500     -4.7200002E-02
 H   -5.584300      0.8622000     -8.9599997E-02


%chk=000002566-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002566

0 1
O 0.614321 0.968297 0.462971
O -1.798317 -0.723923 0.705976
O -1.998512 0.524348 -1.315263
N -3.469686 0.792537 0.505399
C 1.971419 1.481574 -0.049999
C 2.876751 0.202712 -0.088956
C 1.872646 -0.941938 -0.094960
C 0.605925 -0.409678 0.238055
C 1.705813 2.046343 -1.456013
C 2.428592 2.547238 0.948550
C 2.028332 -2.321648 -0.311147
C -0.528616 -1.238483 0.331983
C 0.892512 -3.165513 -0.196388
C -0.376243 -2.624720 0.119116
C -2.394668 0.257212 -0.160245
C -4.340162 1.799452 -0.104006
H 3.526579 0.153080 0.806586
H 3.529468 0.207050 -0.979855
H 2.632715 2.475345 -1.880428
H 1.339051 1.253748 -2.131281
H 0.936471 2.835517 -1.411399
H 3.409420 2.957700 0.646072
H 1.702412 3.377439 0.989194
H 2.523870 2.118318 1.960992
H 3.007858 -2.742569 -0.563065
H 0.991334 -4.243117 -0.362289
H -1.261048 -3.264651 0.195446
H -3.631565 0.474501 1.460931
H -3.970816 1.995511 -1.123092
H -4.319032 2.746545 0.466601
H -5.384923 1.442672 -0.168388


