%chk=000039104.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039104

0 1
 O  -0.3711000       1.037700      6.3100003E-02
 O    2.947400       2.325400      0.4875000    
 O   0.7248000       2.793300     -0.9545000    
 N   -3.379400      0.6878000      0.7692000    
 C    1.883700       1.393300      0.6699000    
 C    2.361700      2.2900000E-02  0.3265000    
 C   0.7013000       1.849600     -0.1746000    
 C    2.944900     -0.7787000       1.307700    
 C    2.225900     -0.4569000     -0.9762000    
 C   -1.554400       1.344400     -0.6810000    
 C   -2.596700      0.3487000     -0.2771000    
 C    3.392100      -2.060300      0.9863000    
 C    2.673200      -1.738300      -1.297600    
 C    3.256200      -2.540100     -0.3164000    
 C   -2.702200     -0.8391000     -0.9787000    
 C   -3.680500      -1.742500     -0.5784000    
 C   -4.508300      -1.432200      0.4948000    
 C   -4.318800     -0.2152000       1.129500    
 H    1.572800       1.458900       1.719100    
 H    3.058000     -0.4155000       2.325700    
 H    1.792700      0.1478000      -1.767800    
 H   -1.352200       1.288600      -1.757100    
 H   -1.891300       2.358600     -0.4356000    
 H    3.846800      -2.684300       1.750100    
 H    2.571100      -2.110800      -2.312800    
 H    3.605300      -3.537600     -0.5669000    
 H   -2.049500      -1.072500      -1.812900    
 H    3.342500       2.173400     -0.3882000    
 H   -3.797100      -2.687000      -1.101400    
 H   -5.277400      -2.121400      0.8242000    
 H   -4.938200      7.4199997E-02   1.972000    


%chk=000039104-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039104

0 1
O -0.196068 1.479353 0.877119
O 2.999791 2.277860 -0.693828
O 0.338904 2.577463 -1.119950
N -3.765228 0.649039 0.335473
C 2.131037 1.520575 0.189387
C 2.308199 0.002650 0.022761
C 0.670024 1.922356 -0.102555
C 1.991800 -0.875266 1.088499
C 2.785146 -0.525443 -1.199749
C -1.649297 1.749600 0.696485
C -2.407103 0.482808 0.335412
C 2.141015 -2.271437 0.928325
C 2.930331 -1.922057 -1.360238
C 2.606792 -2.799381 -0.299060
C -1.779611 -0.743297 0.017859
C -2.597067 -1.845587 -0.323295
C -4.001058 -1.688087 -0.333858
C -4.537198 -0.423597 0.004029
H 2.358174 1.803353 1.234077
H 1.628393 -0.469489 2.040011
H 3.068735 0.162581 -2.002028
H -1.781391 2.516058 -0.088082
H -2.001838 2.143276 1.662690
H 1.902623 -2.943128 1.760605
H 3.304184 -2.324055 -2.308635
H 2.727103 -3.881547 -0.422616
H -0.690742 -0.835564 0.046643
H 2.425215 2.713849 -1.382812
H -2.141161 -2.808821 -0.575385
H -4.666326 -2.517371 -0.593322
H -5.620082 -0.254495 0.014438


