%chk=000049978.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049978

0 1
 O   -2.384900       2.481800     -0.6201000    
 O   -3.425100      0.7168000      0.3536000    
 O   -1.766300     -0.9547000      -1.759800    
 O  -0.3928000     -0.5219000       2.613200    
 N   -1.071300     -0.6594000      0.4349000    
 N  -0.7234000      -1.315400       1.725300    
 N   -1.500100      -2.796400     -0.4552000    
 C  -0.9908000      0.7970000      0.3499000    
 C   2.1199999E-02   1.199400     -0.7342000    
 C    1.412700      0.6759000     -0.4621000    
 C   -2.392100       1.291900      3.5300002E-02
 C    2.294900       1.448100      0.2754000    
 C    1.778100     -0.5658000     -0.9552000    
 C    3.579000      0.9651000      0.5268000    
 C    3.062200      -1.048900     -0.7036000    
 C   -1.464000      -1.430100     -0.6615000    
 C    3.962700     -0.2834000      3.7400000E-02
 H  -0.7067000       1.254200       1.303400    
 H   7.9400003E-02   2.295700     -0.7892000    
 H  -0.2907000      0.9040000      -1.742700    
 H    2.004500       2.420200      0.6633000    
 H    1.101900      -1.164800      -1.555500    
 H    4.280000       1.560700       1.104200    
 H    3.363100      -2.018400      -1.089500    
 H    4.962900     -0.6591000      0.2321000    
 H   -3.293300       2.801800     -0.8066000    
 H   -1.260700      -3.240700      0.4236000    
 H   -1.775800      -3.420000      -1.206800    


%chk=000049978-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049978

0 1
O -2.414901 2.587891 -0.695660
O -3.497135 0.767500 0.259483
O -1.745730 -1.162400 -1.676829
O -0.445846 -0.274474 2.655221
N -1.061600 -0.605654 0.500258
N -0.768409 -1.131076 1.770760
N -1.488288 -2.861170 -0.084292
C -1.016764 0.840495 0.208153
C 0.028250 1.224413 -0.883928
C 1.414943 0.678203 -0.573060
C -2.440152 1.338872 -0.070455
C 2.175754 1.191633 0.509561
C 1.969767 -0.362207 -1.360467
C 3.460584 0.681409 0.796014
C 3.256987 -0.874762 -1.078079
C -1.464309 -1.561451 -0.515525
C 4.006322 -0.354524 0.001662
H -0.706124 1.298579 1.172852
H 0.038373 2.327733 -0.928639
H -0.328208 0.852686 -1.857445
H 1.765240 2.000048 1.128293
H 1.389819 -0.767678 -2.198671
H 4.035772 1.089828 1.634469
H 3.673247 -1.676150 -1.698886
H 5.004293 -0.749660 0.222033
H -3.349589 2.900515 -0.836681
H -1.251229 -3.087517 0.882263
H -1.776466 -3.577481 -0.746005


