%chk=000048987.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048987

0 1
 O  -0.2550000     -0.3098000      1.8200001E-02
 O   -1.295400      -2.230100     -0.6812000    
 N    3.416800     -0.6200000      2.1299999E-02
 C    2.129900      5.8499999E-02  0.1758000    
 C    2.062700       1.327800     -0.6944000    
 C    4.510700      0.2572000      0.4074000    
 C    1.011500     -0.9236000     -0.1882000    
 C    5.845900     -0.4571000      0.2416000    
 C    4.322100      0.7500000       1.836700    
 C    2.220900       1.056400      -2.185500    
 C   -1.356300      -1.076700     -0.2685000    
 C   -2.595100     -0.3383000     -1.8200001E-02
 C   -3.741000      -1.026600      0.3636000    
 C   -2.613700       1.044100     -0.1640000    
 C   -4.921500     -0.3231000      0.6024000    
 C   -3.794300       1.747500      7.4900001E-02
 C   -4.948100       1.063900      0.4582000    
 H    1.938300      0.3464000       1.215700    
 H    1.086200       1.807200     -0.5451000    
 H    2.784000       2.087600     -0.3775000    
 H    4.582700       1.121200     -0.2610000    
 H    3.428900      -1.463600      0.5945000    
 H    1.094500      -1.271100      -1.224600    
 H    1.076000      -1.803900      0.4651000    
 H    6.679300      0.2103000      0.4870000    
 H    5.915700      -1.334000      0.8951000    
 H    5.985400     -0.7942000     -0.7918000    
 H    3.540200       1.510200       1.927300    
 H    5.242700       1.224400       2.197500    
 H    4.097000     -7.1599998E-02   2.526500    
 H    3.163700      0.5515000      -2.414900    
 H    2.216700       2.005900      -2.731800    
 H    1.396400      0.4577000      -2.582400    
 H   -3.734900      -2.106700      0.4828000    
 H   -1.733800       1.601300     -0.4738000    
 H   -5.819900     -0.8553000      0.9014000    
 H   -3.816300       2.827300     -4.0199999E-02
 H   -5.867500       1.611600      0.6436000    


%chk=000048987-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048987

0 1
O -0.300754 -0.212880 0.048836
O -1.310699 -2.268714 -0.375514
N 3.397023 -0.507066 0.146456
C 2.094236 0.204742 0.151569
C 2.058123 1.363615 -0.880994
C 4.636146 0.269959 0.415064
C 1.024878 -0.862690 -0.135259
C 5.838457 -0.688675 0.289937
C 4.649154 1.001773 1.786287
C 2.386822 0.953133 -2.332484
C -1.413280 -1.045719 -0.104807
C -2.698033 -0.313066 0.092523
C -3.906787 -1.044801 -0.041355
C -2.739167 1.070875 0.404831
C -5.146694 -0.397805 0.135460
C -3.982591 1.713932 0.581290
C -5.187003 0.982566 0.447026
H 1.848751 0.649583 1.148072
H 1.048548 1.814243 -0.833780
H 2.763027 2.152252 -0.551571
H 4.723568 1.032561 -0.383568
H 3.366171 -1.350146 0.739248
H 1.099928 -1.259363 -1.161759
H 1.097305 -1.714480 0.568505
H 6.791947 -0.147465 0.425276
H 5.789261 -1.481220 1.063052
H 5.842350 -1.174746 -0.700993
H 3.786002 1.684273 1.892772
H 5.569823 1.604324 1.899603
H 4.614007 0.271264 2.617691
H 3.347002 0.410504 -2.380106
H 2.452792 1.844451 -2.982936
H 1.609642 0.292063 -2.757155
H -3.849057 -2.111312 -0.282974
H -1.801038 1.623451 0.506081
H -6.078456 -0.964094 0.031474
H -4.014920 2.781874 0.823055
H -6.151083 1.485106 0.584644


