%chk=000023526.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023526

1 1
 O   -1.770000      2.7999999E-03  0.9226000    
 O   -2.281300     -0.5962000      -1.265100    
 N    2.894700     -0.8889000     -8.3999997E-03
 N   -3.797900     -0.9591000      0.4526000    
 C    1.704800      7.3399998E-02  2.1199999E-02
 C    3.993700     -0.3384000      0.8959000    
 C    3.388100      -1.015600      -1.447100    
 C    2.522100      -2.283500      0.4904000    
 C   0.5243000     -0.4245000      0.4607000    
 C    1.932600       1.342200     -0.3950000    
 C  -0.5599000      0.4526000      0.4873000    
 C  -0.3978000       1.774600      7.2800003E-02
 C   0.8486000       2.219400     -0.3685000    
 C   -1.547300       2.726800      9.3999997E-02
 C   -2.599800     -0.5315000     -8.1400000E-02
 C   -4.854800      -1.553900     -0.3320000    
 H    3.580300     -0.1871000       1.898400    
 H    4.804200      -1.073500      0.9313000    
 H    4.381800      0.5979000      0.4857000    
 H    3.788600     -5.7700001E-02  -1.790100    
 H    4.187300      -1.763600      -1.467300    
 H    2.553400      -1.340300      -2.076700    
 H    1.765900      -2.721300     -0.1696000    
 H    3.422600      -2.906400      0.4407000    
 H    2.201300      -2.227200       1.536000    
 H   0.3365000      -1.435400      0.7950000    
 H    2.889500       1.711100     -0.7431000    
 H   0.9903000       3.245800     -0.6965000    
 H   -2.064100       2.689900       1.058900    
 H   -1.219000       3.761500     -5.3100001E-02
 H   -2.256700       2.483000     -0.7032000    
 H   -3.945300     -0.8483000       1.451000    
 H   -5.744700     -0.9270000     -0.2360000    
 H   -5.065700      -2.545300      7.5999998E-02
 H   -4.572000      -1.637700      -1.383800    


%chk=000023526-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000023526

1 1
O -2.016016 0.399129 0.074946
O -1.862590 -1.996491 0.109003
N 2.839552 -0.906255 -0.129606
N -3.906513 -0.835683 0.191421
C 1.714112 0.133829 -0.089706
C 3.767820 -0.704043 1.076205
C 3.637878 -0.744715 -1.430831
C 2.316949 -2.343131 -0.078460
C 0.375687 -0.289532 -0.024886
C 2.058267 1.500470 -0.121401
C -0.642030 0.695086 0.009216
C -0.345353 2.088373 -0.021005
C 1.018458 2.455314 -0.086257
C -1.449597 3.119144 0.016023
C -2.552687 -0.948211 0.125616
C -4.792102 -2.008445 0.255593
H 3.173793 -0.814086 1.995211
H 4.567543 -1.460283 1.040686
H 4.202590 0.303716 1.038484
H 4.069723 0.264290 -1.471744
H 4.439929 -1.499125 -1.453504
H 2.952331 -0.885602 -2.279203
H 1.670142 -2.532603 -0.946619
H 3.184704 -3.019460 -0.107096
H 1.754704 -2.498383 0.853100
H 0.065165 -1.333427 0.002056
H 3.094455 1.849604 -0.172197
H 1.275704 3.518979 -0.110480
H -2.061931 3.011747 0.929386
H -1.041268 4.141939 -0.011547
H -2.137487 2.994708 -0.839666
H -4.304079 0.105265 0.196678
H -5.487635 -2.018226 -0.601421
H -5.373713 -2.008194 1.193908
H -4.172204 -2.917095 0.221699


