%chk=000162869.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162869

0 1
 O   -3.600800      -2.219000     -0.1826000    
 O   -4.262000       2.318400     -0.1387000    
 N   -2.331400       1.007500     -0.2939000    
 N   -4.304800     -7.1000000E-03 -0.1257000    
 N    4.381500      0.3209000     -0.2527000    
 C   -1.993200     -0.3949000     -0.3248000    
 C   -1.094100     -0.7951000      0.8264000    
 C   0.3576000     -0.4997000      0.5410000    
 C   -3.377000      -1.016700     -0.2056000    
 C    1.140500      -1.465600     -7.1599998E-02
 C   0.8830000      0.7333000      0.8955000    
 C   -3.704200       1.230400     -0.1789000    
 C    3.024700      4.4399999E-02  1.4800000E-02
 C    2.482400      -1.192000     -0.3362000    
 C    2.224900       1.007100      0.6308000    
 C    5.360100     -0.7481000     -0.2647000    
 C    4.812900       1.676100     -0.5330000    
 H   -1.580000     -0.6311000      -1.311100    
 H   -1.193700      -1.869700       1.031300    
 H   -1.396900     -0.2997000       1.759100    
 H   -1.652600       1.756400     -0.3893000    
 H   0.7260000      -2.429300     -0.3534000    
 H   0.2697000       1.488300       1.379000    
 H   -5.304100     -0.1541000     -4.0399998E-02
 H    3.074300      -1.958500     -0.8282000    
 H    2.619100       1.974800      0.9277000    
 H    5.197500      -1.450700      0.5606000    
 H    6.376100     -0.3548000     -0.1470000    
 H    5.326400      -1.294500      -1.213100    
 H    4.918600       2.249200      0.3941000    
 H    4.109000       2.192100      -1.195900    
 H    5.785300       1.685000      -1.038100    


%chk=000162869-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000162869

0 1
O -4.001173 -2.081871 0.526293
O -3.813735 2.377675 -1.019885
N -2.137531 0.709913 -0.698880
N -4.256059 0.162392 -0.218638
N 4.364097 0.409914 -0.295303
C -2.059606 -0.676884 -0.215877
C -1.145463 -0.864240 1.033843
C 0.306157 -0.541447 0.721807
C -3.542713 -1.001342 0.084692
C 1.156277 -1.494564 0.103497
C 0.854950 0.737896 0.993435
C -3.422174 1.232491 -0.693438
C 3.040698 0.100806 0.036065
C 2.488642 -1.193748 -0.233262
C 2.185723 1.062249 0.664202
C 5.217275 -0.599251 -0.933892
C 4.906892 1.737972 0.013680
H -1.704709 -1.357816 -1.014470
H -1.267528 -1.912959 1.363241
H -1.526922 -0.215782 1.844307
H -1.324133 1.268265 -0.951712
H 0.773110 -2.501527 -0.108976
H 0.233761 1.495455 1.489072
H -5.265305 0.270205 -0.117211
H 3.103498 -1.969088 -0.698788
H 2.559968 2.061331 0.904226
H 5.355819 -1.493146 -0.291017
H 6.211368 -0.167577 -1.130093
H 4.798028 -0.939216 -1.903006
H 4.880367 1.952878 1.101879
H 4.348428 2.543884 -0.505535
H 5.956793 1.790431 -0.314856


