%chk=000045009.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045009

0 1
 O   0.2307000      -1.489900     -0.7147000    
 O   0.5426000       1.674800      -1.785200    
 O    2.863100      -1.313100      0.1719000    
 N    1.320300       1.619000      0.4186000    
 C  -0.8244000      0.6181000     -0.2698000    
 C  -0.8660000     -0.7745000     -0.3367000    
 C   0.3922000       1.346500     -0.6019000    
 C   -1.958000       1.332000      0.1189000    
 C   -2.041300      -1.453300     -1.4900000E-02
 C   0.7463000      -2.429800      0.2256000    
 C   -3.133200      0.6532000      0.4408000    
 C   -3.174900     -0.7395000      0.3738000    
 C    2.566600       2.327500      0.1640000    
 C    1.096500       1.209600       1.803300    
 C    2.239300      -2.580700      6.5000001E-03
 H   -1.937600       2.417400      0.1749000    
 H   -2.092400      -2.537200     -7.0600003E-02
 H   0.5676000      -2.076200       1.249100    
 H   0.2465000      -3.394000      8.5299999E-02
 H   -4.016000       1.208900      0.7431000    
 H   -4.090600      -1.267700      0.6225000    
 H    2.583700       3.240200      0.7663000    
 H    2.657900       2.593400     -0.8921000    
 H    3.405000       1.683900      0.4449000    
 H   0.1808000      0.6400000       1.958400    
 H    1.053600       2.110200       2.423500    
 H    1.942700      0.5953000       2.125600    
 H    2.456900      -2.930000      -1.007700    
 H    2.673600      -3.280900      0.7252000    
 H    2.472500     -0.7086000     -0.4820000    


%chk=000045009-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045009

0 1
O 0.520597 -1.185987 -0.060944
O 0.362531 2.163919 -1.688898
O 3.052953 -2.074199 0.737460
N 1.334407 1.790370 0.398145
C -0.868452 0.761818 -0.150000
C -0.769650 -0.642181 0.061710
C 0.324205 1.610138 -0.542735
C -2.148382 1.361364 -0.121596
C -1.921200 -1.412856 0.351210
C 0.710395 -2.631516 0.164818
C -3.305460 0.603018 0.165994
C -3.184874 -0.782809 0.408167
C 2.521498 2.578710 0.027570
C 1.279895 1.312129 1.786175
C 2.190991 -2.885067 -0.125318
H -2.225989 2.432889 -0.334087
H -1.846619 -2.490348 0.523932
H 0.461275 -2.875866 1.216597
H 0.067104 -3.220542 -0.520193
H -4.286665 1.087145 0.194079
H -4.073753 -1.382728 0.632474
H 2.586412 3.500406 0.637803
H 2.434626 2.855397 -1.034082
H 3.444817 1.988118 0.184090
H 0.288196 0.893386 2.011058
H 1.469565 2.153908 2.480406
H 2.041033 0.530484 1.980915
H 2.397469 -2.682519 -1.196412
H 2.443579 -3.935341 0.097023
H 2.803497 -1.126642 0.581243