%chk=000094046.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094046

0 1
 O   -3.805900     -3.4200002E-02  0.4095000    
 C    1.869600      3.8800001E-02  0.4826000    
 C   0.7958000       1.055300     -3.2099999E-02
 C   4.0300000E-02  -1.241000      0.3934000    
 C    1.061100     -0.8355000       1.454700    
 C    2.229300      -1.021000     -0.5837000    
 C  -0.4100000      0.1233000     -9.3800001E-02
 C   0.9396000      -1.855400     -0.6922000    
 C   0.5899000       2.196500      0.9810000    
 C    1.141700       1.669200      -1.395800    
 C   -1.656200      0.4344000     -0.4672000    
 C   -2.795200     -0.5303000     -0.4567000    
 H    2.749900      0.5135000      0.9238000    
 H  -0.7301000      -1.912200      0.7710000    
 H   0.6274000     -0.2915000       2.298900    
 H    1.634500      -1.685000       1.843700    
 H    3.049300      -1.654900     -0.2243000    
 H    2.542700     -0.6017000      -1.542500    
 H   0.4966000      -1.796200      -1.692100    
 H    1.154800      -2.907800     -0.4755000    
 H  -0.1719000       2.903800      0.6326000    
 H   0.2649000       1.838900       1.963100    
 H    1.520500       2.757200       1.124800    
 H    1.104300      0.9358000      -2.208000    
 H   0.4345000       2.463100      -1.663600    
 H    2.144400       2.110300      -1.380400    
 H   -1.875100       1.448900     -0.7906000    
 H   -2.548000      -1.548200     -0.1528000    
 H   -3.221300     -0.5897000      -1.463400    
 H   -3.446200     -3.8300000E-02   1.313300    


%chk=000094046-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000094046

0 1
O -4.006574 0.066634 0.247380
C 1.939889 0.035529 0.482932
C 0.810802 1.022404 -0.006656
C 0.080548 -1.293586 0.462995
C 1.166769 -0.862547 1.495629
C 2.274742 -1.013985 -0.620617
C -0.413353 0.062026 -0.041523
C 0.980634 -1.910300 -0.668126
C 0.599123 2.161547 1.032604
C 1.093897 1.677025 -1.382948
C -1.658242 0.399285 -0.472186
C -2.863433 -0.507279 -0.507145
H 2.823287 0.566361 0.877047
H -0.701684 -1.978635 0.826146
H 0.759542 -0.321793 2.366052
H 1.770061 -1.715724 1.855953
H 3.155779 -1.608536 -0.316831
H 2.512849 -0.555629 -1.594535
H 0.477259 -1.883489 -1.650023
H 1.212559 -2.965944 -0.435552
H -0.289451 2.764022 0.769113
H 0.448010 1.773382 2.054876
H 1.477288 2.835161 1.046745
H 1.111168 0.938055 -2.202094
H 0.309409 2.417577 -1.625146
H 2.065034 2.208003 -1.370441
H -1.848274 1.424315 -0.825358
H -2.619860 -1.520701 -0.128958
H -3.263738 -0.607298 -1.531611
H -3.672840 0.340221 1.139979


