%chk=000025409.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025409

0 1
 I   -1.223900       2.127000      -1.718800    
 I  -0.1933000      -3.718800     -0.2644000    
 I   -5.538200      -1.354100      0.8805000    
 O   0.5780000     -0.8386000       1.757600    
 O    2.221600      -2.155900      0.9157000    
 O    7.520500       1.200100     -0.2720000    
 O    6.123900       1.372000       1.516100    
 O   -3.674900       2.313300       1.614200    
 N   -4.058300       1.236300     -0.4460000    
 C    1.453800     -0.2397000     -0.3878000    
 C    2.850200     -7.2200000E-02  -1.019300    
 C   0.3875000     -0.6880000      -1.409200    
 C    3.879900      0.4829000     -2.2700001E-02
 C   -1.019900     -0.8157000     -0.8751000    
 C    5.269000      0.6312000     -0.6445000    
 C    1.484900      -1.184500      0.8069000    
 C   -1.879800      0.2748000     -0.9122000    
 C   -1.436500      -2.032700     -0.3500000    
 C   -3.177200      0.1463000     -0.4163000    
 C   -2.733800      -2.161100      0.1462000    
 C   -3.604100      -1.071600      0.1129000    
 C    6.309500       1.114800      0.3362000    
 C   -4.247200       2.214500      0.5336000    
 C   -5.291800       3.219800      0.1182000    
 H    1.174100      0.7448000      1.0600000E-02
 H    2.781100      0.6064000      -1.878400    
 H    3.201300      -1.039000      -1.401200    
 H   0.4206000     -2.9899999E-02  -2.283500    
 H   0.7104000      -1.625800      -1.875200    
 H    3.541300       1.458700      0.3477000    
 H    3.956900     -0.1708000      0.8534000    
 H    5.599100     -0.3395000      -1.032200    
 H    5.223800       1.346100      -1.473600    
 H   -3.066700      -3.111200      0.5591000    
 H   0.5947000      -1.455600       2.520000    
 H   -4.547100       1.358400      -1.330200    
 H    8.220200       1.499600      0.3469000    
 H   -4.912600       3.818400     -0.7147000    
 H   -5.523700       3.880600      0.9580000    
 H   -6.207700       2.706300     -0.1878000    


%chk=000025409-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000025409

0 1
I -0.890516 1.998461 -1.630743
I -0.712960 -4.109228 -0.216187
I -5.866679 -1.033320 0.370673
O 0.627367 -1.167434 1.919061
O 2.479774 -2.308253 1.109302
O 7.437427 1.602652 -0.580784
O 5.995195 2.101241 1.168789
O -4.122959 1.728282 1.739293
N -3.868985 1.464356 -0.569905
C 1.479564 -0.469837 -0.227860
C 2.850973 -0.239221 -0.905465
C 0.456695 -1.054322 -1.270268
C 3.862050 0.508135 -0.009391
C -1.000286 -1.030247 -0.841453
C 5.200973 0.726492 -0.738750
C 1.619153 -1.411593 0.963423
C -1.781227 0.160297 -0.898460
C -1.687745 -2.186505 -0.371546
C -3.150077 0.235847 -0.508149
C -3.044628 -2.164934 0.007987
C -3.774292 -0.963937 -0.074904
C 6.193772 1.536491 0.071702
C -4.304951 2.163798 0.572358
C -5.033341 3.468180 0.269654
H 1.082149 0.488834 0.152318
H 2.681812 0.345797 -1.832364
H 3.271545 -1.219252 -1.205513
H 0.570751 -0.446646 -2.187201
H 0.763588 -2.084310 -1.523418
H 3.448162 1.486801 0.299944
H 4.044007 -0.065996 0.917337
H 5.676885 -0.238012 -1.000189
H 5.048521 1.255393 -1.701428
H -3.536670 -3.078967 0.344411
H 0.712024 -1.821798 2.665412
H -3.936514 1.934993 -1.475309
H 8.064836 2.146334 -0.030674
H -4.728986 4.223833 1.011111
H -6.121391 3.309610 0.381778
H -4.839413 3.855584 -0.745892


