%chk=000080111.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080111

0 1
 O    1.681600     -0.6145000     -0.3054000    
 O   -1.685000     -0.6077000      0.3081000    
 O    3.050100      -1.488700       1.326500    
 O   -3.016600      -1.525200      -1.330400    
 N    3.150700      -2.240200     -0.8443000    
 N   -3.164600      -2.220800      0.8562000    
 C   8.9999998E-04   1.151600     -2.4000001E-03
 C   0.6067000       2.023700      -1.142600    
 C  -0.6197000       2.011200       1.139100    
 C    1.092600      0.2590000      0.6496000    
 C   -1.075600      0.2416000     -0.6558000    
 C    1.726000       2.972100     -0.7299000    
 C   -1.754900       2.941200      0.7282000    
 C    2.659900      -1.448500      0.1644000    
 C   -2.652200      -1.454700     -0.1614000    
 H   0.9995000       1.368900      -1.931700    
 H  -0.1857000       2.613100      -1.619700    
 H   0.1628000       2.613100       1.617000    
 H   -1.001000       1.349600       1.928200    
 H   0.6487000     -0.3488000       1.448900    
 H    1.873600      0.8774000       1.107700    
 H   -1.848700      0.8508000      -1.139300    
 H  -0.6188000     -0.3819000      -1.435200    
 H    2.594000       2.432500     -0.3419000    
 H    1.391900       3.690400      2.3499999E-02
 H    2.062500       3.544700      -1.600800    
 H   -2.104500       3.503100       1.600900    
 H   -1.431600       3.669100     -2.0600000E-02
 H   -2.611400       2.387500      0.3343000    
 H    2.794800      -2.169600      -1.791700    
 H    3.884100      -2.919800     -0.6735000    
 H   -2.829700      -2.125600       1.809000    
 H   -3.893600      -2.905500      0.6867000    


%chk=000080111-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080111

0 1
O 1.717820 -0.588196 -0.359323
O -1.722084 -0.592158 0.363709
O 3.063593 -1.552322 1.320526
O -3.054346 -1.577196 -1.314775
N 3.214206 -2.200782 -0.932197
N -3.209590 -2.211094 0.941774
C -0.004726 1.132821 -0.000943
C 0.625629 2.000308 -1.137612
C -0.638433 2.001876 1.132686
C 1.060093 0.244419 0.681903
C -1.065879 0.237695 -0.680724
C 1.726745 2.987528 -0.695749
C -1.745561 2.980978 0.687850
C 2.706201 -1.467362 0.119729
C -2.702690 -1.481178 -0.113123
H 1.047018 1.315867 -1.898468
H -0.184601 2.565393 -1.638940
H 0.169315 2.573744 1.630307
H -1.054940 1.318628 1.897298
H 0.592934 -0.425205 1.424788
H 1.831403 0.850005 1.190406
H -1.838601 0.838532 -1.192733
H -0.595937 -0.433866 -1.420057
H 2.592389 2.465111 -0.250831
H 1.356362 3.723754 0.040419
H 2.099962 3.552888 -1.569054
H -2.119673 3.549353 1.558811
H -1.380610 3.714886 -0.053335
H -2.609534 2.451622 0.247941
H 2.853892 -2.073809 -1.874576
H 3.944635 -2.880520 -0.742634
H -2.853921 -2.075182 1.884670
H -3.934272 -2.897435 0.753958


