%chk=000054043.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054043

0 1
 O    1.593100      0.3715000      -1.145800    
 O   0.3451000      0.3435000      0.8170000    
 N   -4.137000      5.6299999E-02 -0.3467000    
 N  -0.6196000      0.8668000      -1.228000    
 C   -4.970300      -1.145100     -0.3870000    
 C   -4.184500      0.5048000       1.044700    
 C   -6.166300     -0.7600000      0.4713000    
 C   -5.650900      0.3268000       1.409700    
 C   -2.778200     -0.1943000     -0.8035000    
 C   -1.963900       1.090700     -0.7706000    
 C   0.4274000      0.5120000     -0.3960000    
 C    2.708300      1.2300000E-02 -0.3829000    
 C    2.982800      -1.325500     -0.1981000    
 C    3.492600       1.009500      0.1551000    
 C    4.096300      -1.683600      0.5619000    
 C    4.606000      0.6513000      0.9152000    
 C    4.907900     -0.6951000       1.118600    
 C    2.125400      -2.398400     -0.7841000    
 C    3.185700       2.456400     -5.0700001E-02
 H   -4.459800      -2.009600      5.6800000E-02
 H   -5.272700      -1.404200      -1.406500    
 H   -3.892100       1.551800       1.169600    
 H   -3.560900     -0.1186000       1.698400    
 H   -6.557500      -1.620400       1.023500    
 H   -6.977900     -0.3606000     -0.1481000    
 H   -6.210200       1.255100       1.243600    
 H   -5.771800      4.5499999E-02   2.460700    
 H   -2.801300     -0.5718000      -1.833900    
 H   -2.286800     -0.9675000     -0.1976000    
 H   -2.406200       1.848100      -1.427300    
 H   -1.898400       1.511200      0.2376000    
 H  -0.4258000      0.9683000      -2.219600    
 H    4.343900      -2.728100      0.7313000    
 H    5.247300       1.409300       1.357200    
 H    5.774300     -0.9739000       1.711200    
 H    2.610100      -3.379200     -0.7293000    
 H    1.925100      -2.200400      -1.842400    
 H    1.175300      -2.462100     -0.2443000    
 H    4.024200       3.094600      0.2486000    
 H    2.987800       2.664800      -1.107400    
 H    2.313100       2.747300      0.5426000    


%chk=000054043-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054043

0 1
O 1.624218 0.423163 -0.912852
O 0.415651 0.356128 1.135000
N -4.238252 0.075168 -0.262969
N -0.590754 0.906105 -0.920804
C -5.210349 -0.940090 -0.747709
C -4.451033 0.142442 1.210450
C -6.501563 -0.584757 0.023568
C -5.989773 -0.010796 1.387705
C -2.847728 -0.159605 -0.687074
C -1.958085 1.077426 -0.413878
C 0.452945 0.544955 -0.103121
C 2.858358 0.054878 -0.279713
C 3.086266 -1.302591 0.051688
C 3.821845 1.076524 -0.099537
C 4.356743 -1.635170 0.583903
C 5.079242 0.698969 0.432466
C 5.346371 -0.645662 0.772849
C 2.009462 -2.349354 -0.149730
C 3.504083 2.515068 -0.456334
H -4.883321 -1.982119 -0.495125
H -5.325219 -0.875867 -1.844758
H -4.070315 1.093419 1.622037
H -3.913494 -0.690629 1.731117
H -7.158850 -1.462311 0.151143
H -7.066194 0.187297 -0.526569
H -6.464567 0.961387 1.602446
H -6.219400 -0.685526 2.230711
H -2.849792 -0.365251 -1.775590
H -2.390450 -1.049394 -0.181331
H -2.422794 1.963783 -0.883051
H -1.880899 1.262240 0.670780
H -0.393201 1.010463 -1.916594
H 4.564595 -2.678188 0.849691
H 5.846690 1.467391 0.581623
H 6.324005 -0.921770 1.183190
H 2.416767 -3.365641 -0.016254
H 1.565031 -2.280089 -1.159340
H 1.189942 -2.208044 0.579850
H 4.388664 3.159360 -0.317570
H 3.165330 2.604626 -1.504117
H 2.689422 2.911565 0.178600


