%chk=000167126.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000167126

0 1
 O   0.8104000       3.687100       1.502000    
 O   -4.332900      0.1378000      -1.898000    
 O   -4.804400       1.023900      5.4400001E-02
 N   0.6779000       1.278400      3.2499999E-02
 N    4.076500     -0.2130000     -0.1024000    
 N   -3.719400      -2.162000      0.5262000    
 N   -4.032600      0.3984000     -0.7096000    
 C    1.981900      0.8982000      0.5210000    
 C    2.741200      0.1560000     -0.5712000    
 C   0.5249000       2.583800     -0.6124000    
 C    4.970000     -0.4456000      -1.236500    
 C    4.009500      -1.401000      0.7478000    
 C  -0.4261000      0.4227000      0.1529000    
 C  -4.9600001E-02   3.586500      0.3738000    
 C   -1.673100      0.8201000     -0.3296000    
 C  -0.2773000     -0.8265000      0.7553000    
 C    4.486300      -1.607800      -2.087100    
 C    5.380200      -1.763200       1.293700    
 C   -2.771200     -3.1599998E-02 -0.2099000    
 C   -2.622300      -1.280800      0.3928000    
 C   -1.375400      -1.678100      0.8754000    
 C   -3.574400      -3.583200      0.5289000    
 H    2.553400       1.803300      0.7709000    
 H    1.927100      0.3650000       1.474400    
 H    2.816300      0.8300000      -1.435700    
 H    2.166600     -0.7154000     -0.9092000    
 H  -5.3900000E-02   2.532800      -1.541000    
 H    1.516000       2.942200     -0.9214000    
 H    5.013200      0.4595000      -1.856500    
 H    6.006000     -0.6040000     -0.9188000    
 H    3.388100      -1.184200       1.624100    
 H    3.544300      -2.269800      0.2686000    
 H   -1.044300       3.308700      0.7321000    
 H  -0.1164000       4.573300     -9.5299996E-02
 H   -1.842400       1.778800     -0.8088000    
 H   0.6663000      -1.200200       1.136500    
 H    5.142100      -1.693000      -2.962300    
 H    3.475900      -1.472600      -2.482600    
 H    4.544600      -2.573400      -1.577400    
 H    6.026300      -2.221600      0.5390000    
 H    5.891700     -0.8912000       1.715900    
 H    5.271000      -2.497100       2.100300    
 H   -1.225500      -2.641100       1.355000    
 H   -4.638800      -1.789300      0.3163000    
 H   0.4214000       4.348500       2.099300    
 H   -2.982800      -3.929700     -0.3250000    
 H   -4.560500      -4.053700      0.4581000    
 H   -3.114600      -3.939500       1.456100    


%chk=000167126-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000167126

0 1
O 1.188712 3.924745 1.137557
O -4.317786 1.738955 -0.939259
O -5.317870 -0.242872 -0.400118
N 0.597408 1.242355 -0.118738
N 4.054916 -0.392185 -0.136442
N -3.887906 -2.234860 0.497726
N -4.239929 0.515428 -0.512251
C 1.938337 0.853348 0.362961
C 2.746254 0.034501 -0.683006
C 0.452221 2.575876 -0.717517
C 5.183514 -0.298911 -1.095534
C 3.971573 -1.658785 0.632428
C -0.519238 0.406932 0.033805
C 0.024387 3.676731 0.268922
C -1.830301 0.830287 -0.289579
C -0.383522 -0.940041 0.526571
C 5.161295 -1.299508 -2.284873
C 5.212742 -1.933449 1.501577
C -2.947737 -0.033464 -0.148229
C -2.815520 -1.382546 0.347822
C -1.480816 -1.787721 0.679381
C -3.781320 -3.599446 1.003536
H 2.496447 1.770252 0.610681
H 1.852117 0.286784 1.309056
H 2.917864 0.678441 -1.566588
H 2.129428 -0.825701 -1.039264
H -0.268666 2.539564 -1.556578
H 1.425988 2.879011 -1.144054
H 5.192379 0.735033 -1.490340
H 6.128051 -0.419955 -0.533824
H 3.092051 -1.579097 1.300648
H 3.779137 -2.540619 -0.031297
H -0.855072 3.349050 0.858807
H -0.243257 4.593810 -0.299251
H -2.050234 1.834373 -0.654572
H 0.605405 -1.329724 0.784510
H 6.021277 -1.113898 -2.955103
H 4.236834 -1.192290 -2.881746
H 5.225456 -2.347428 -1.939059
H 6.112156 -2.133015 0.891797
H 5.421761 -1.066149 2.152447
H 5.041727 -2.820204 2.139163
H -1.313804 -2.800862 1.056264
H -4.794819 -1.822697 0.224653
H 0.927193 4.507764 1.892467
H -3.135737 -4.232200 0.361568
H -4.787030 -4.048574 1.020792
H -3.374865 -3.630640 2.034682


