%chk=000166731.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000166731

0 1
 O    1.241000      0.6244000      0.8632000    
 O   0.6702000      -2.614600     -0.5696000    
 O    2.941200      -1.868000      0.7324000    
 O    2.590500       2.752200     -0.3647000    
 O   -1.750100      -2.207500      9.2100002E-02
 N   -2.716000       1.522600     -8.0399998E-02
 N  -0.5495000       2.354400      0.4233000    
 N   -3.324600     -0.5944000     -0.2632000    
 N   -3.666700      0.6058000     -0.3177000    
 C    1.019200      -1.244900     -0.5711000    
 C    2.494200      -1.009300     -0.3163000    
 C   0.3777000     -0.4937000      0.5871000    
 C    2.502700      0.4293000      0.1863000    
 C  -0.9916000      1.1300000E-02  0.2854000    
 C    2.601100       1.455100     -0.9346000    
 C   -1.392900       1.293300      0.2152000    
 C   -2.046400      -1.016000      3.2499999E-02
 H   0.7425000     -0.8093000      -1.539700    
 H    3.127500      -1.192000      -1.188200    
 H   0.3359000      -1.109000       1.494800    
 H    3.290100      0.6065000      0.9276000    
 H    1.750400       1.388500      -1.619900    
 H    3.529900       1.327400      -1.499200    
 H  -0.2160000      -2.696300     -0.9586000    
 H    2.497000      -1.616800       1.559200    
 H    2.655700       3.388100      -1.097400    
 H   -2.991800       2.498300     -0.1252000    
 H  -0.9242000       3.292500      0.3571000    
 H   0.4195000       2.218600      0.6716000    


%chk=000166731-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000166731

0 1
O 1.220075 0.746909 0.806079
O 0.828376 -2.676860 -0.402186
O 3.025644 -1.836327 0.769518
O 2.500360 2.842095 -0.362778
O -1.751924 -2.257238 -0.011558
N -2.858597 1.597747 -0.058073
N -0.687823 2.483412 0.293374
N -3.460770 -0.658311 -0.111301
N -3.848507 0.583549 -0.165246
C 1.040354 -1.253683 -0.552010
C 2.545818 -0.960262 -0.288192
C 0.331434 -0.412814 0.563374
C 2.563373 0.495761 0.207942
C -1.078494 0.041994 0.243708
C 2.797193 1.510205 -0.917646
C -1.498599 1.390605 0.170473
C -2.048452 -1.008324 0.039392
H 0.735951 -0.894906 -1.556648
H 3.148774 -1.097327 -1.209724
H 0.310515 -1.043090 1.477976
H 3.305525 0.628170 1.012429
H 2.132915 1.295511 -1.782199
H 3.854524 1.438895 -1.247766
H -0.171499 -2.794028 -0.239281
H 2.476212 -2.669829 0.683522
H 2.806901 3.537912 -0.995644
H -3.266845 2.531258 -0.125844
H -1.054003 3.432859 0.274390
H 0.318066 2.302617 0.465919


