%chk=000031416.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031416

0 1
 O   -2.670800       2.329400      7.3399998E-02
 O    2.672000       2.327100      7.1300000E-02
 N   -2.808300     -0.2286000      0.5724000    
 N    2.807700     -0.2302000      0.5741000    
 C  -0.6981000       1.040200      0.3250000    
 C   0.6984000       1.039700      0.3250000    
 C   -1.396700     -0.1506000      0.5576000    
 C    1.396200     -0.1514000      0.5581000    
 C  -0.6972000       3.539000     -0.1633000    
 C   0.6993000       3.538500     -0.1636000    
 C   -1.446900       2.290000      8.1200004E-02
 C    1.448100       2.288800      8.0399998E-02
 C  -0.6974000      -1.335400      0.7893000    
 C   0.6960000      -1.335800      0.7897000    
 C   -1.395000       4.730200     -0.3957000    
 C    1.398000       4.729200     -0.3963000    
 C   -3.706600      -1.260100      0.2465000    
 C    3.705900      -1.261600      0.2475000    
 C  -0.6948000       5.914600     -0.6271000    
 C   0.6986000       5.914200     -0.6273000    
 C   -4.942100      -1.345000      0.8931000    
 C    4.941500      -1.347000      0.8936000    
 C   -3.368100      -2.204400     -0.7258000    
 C    3.366400      -2.206100     -0.7245000    
 C   -5.492100      -3.309200     -0.4013000    
 C    5.490400      -3.311500     -0.4011000    
 C   -5.833400      -2.368100      0.5699000    
 C    5.832400      -2.370300      0.5697000    
 C   -4.259500      -3.227500      -1.049200    
 C    4.257300      -3.229400      -1.048200    
 C   -6.444500      -4.403700     -0.7463000    
 C    6.443200      -4.404900     -0.7481000    
 H   -1.205200      -2.270200       1.010600    
 H    1.203200      -2.270900       1.011400    
 H   -3.259600      0.6085000      0.9288000    
 H    3.259200      0.6066000      0.9310000    
 H   -2.481300       4.759800     -0.4011000    
 H    2.484200       4.757900     -0.4022000    
 H   -1.236800       6.838500     -0.8073000    
 H    1.241200       6.837700     -0.8077000    
 H   -5.219700     -0.6185000       1.652800    
 H    5.220200     -0.6201000       1.652500    
 H   -2.426600      -2.152300      -1.265900    
 H    2.425100      -2.153300      -1.264700    
 H   -6.789700      -2.422600       1.083200    
 H    6.790800      -2.422600       1.079600    
 H   -3.983900      -3.952900      -1.810200    
 H    3.982800      -3.952500      -1.811800    
 H   -6.261400      -5.275200     -0.1101000    
 H   -7.482700      -4.081800     -0.6104000    
 H   -6.337500      -4.705100      -1.793900    
 H    7.103300      -4.084200      -1.560100    
 H    7.057700      -4.682200      0.1152000    
 H    5.910300      -5.307800      -1.064800    


%chk=000031416-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031416

0 1
O -2.770830 2.370277 0.099733
O 2.772681 2.363875 0.102644
N -2.830279 -0.180315 0.167434
N 2.826254 -0.186542 0.170821
C -0.725435 1.065360 0.123863
C 0.724256 1.063711 0.124649
C -1.446847 -0.182979 0.186264
C 1.442842 -0.186266 0.187929
C -0.710240 3.596413 -0.042038
C 0.715084 3.594762 -0.041242
C -1.466631 2.329040 0.062747
C 1.468397 2.325653 0.064468
C -0.695812 -1.399206 0.355561
C 0.688898 -1.400820 0.356284
C -1.411648 4.827294 -0.134263
C 1.419479 4.823992 -0.132704
C -3.720438 -1.276319 0.029797
C 3.714823 -1.284266 0.035428
C -0.705347 6.039712 -0.229530
C 0.716129 6.038058 -0.228749
C -4.987311 -1.188307 0.669164
C 4.976828 -1.202067 0.685258
C -3.446488 -2.410618 -0.783021
C 3.441335 -2.418218 -0.777773
C -5.664798 -3.367438 -0.267135
C 5.654488 -3.381017 -0.251335
C -5.938714 -2.215468 0.516205
C 5.924803 -2.233338 0.539609
C -4.405223 -3.435620 -0.916811
C 4.396696 -3.447465 -0.904364
C -6.679753 -4.489008 -0.397661
C 6.691284 -4.476858 -0.424440
H -1.233555 -2.332124 0.543337
H 1.224315 -2.334945 0.544729
H -3.213707 0.803783 0.199993
H 3.211699 0.796812 0.203951
H -2.505247 4.796764 -0.128820
H 2.512997 4.790900 -0.126035
H -1.250343 6.987039 -0.304006
H 1.263415 6.984111 -0.302616
H -5.213284 -0.312113 1.287328
H 5.198136 -0.331233 1.312572
H -2.511135 -2.467298 -1.348504
H 2.505742 -2.475748 -1.342762
H -6.909526 -2.124206 1.018187
H 6.889221 -2.149973 1.055176
H -4.177085 -4.296794 -1.556836
H 4.166365 -4.311356 -1.539941
H -6.548918 -5.242694 0.403618
H -7.714238 -4.109763 -0.323421
H -6.578462 -5.016827 -1.362412
H 7.356321 -4.264771 -1.284520
H 7.333302 -4.571087 0.469172
H 6.219006 -5.457589 -0.610079


