%chk=000068877.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068877

0 1
 O    5.085300      -1.558100     -0.3802000    
 N   -2.782800       3.934400     -8.3499998E-02
 N   -3.203800      -3.616800      8.0399998E-02
 N    2.981100       1.203600      0.2646000    
 N    4.096000      0.4349000      0.1765000    
 N    2.828900      -1.532000     -0.2504000    
 C    1.830700      0.6384000      9.4700001E-02
 C    1.744800     -0.8489000     -8.7499999E-02
 C   0.6307000       1.496500      4.8400000E-02
 C   0.4582000      -1.569200     -4.4000000E-02
 C   -1.635700       3.115200     -3.9200000E-02
 C   -1.973400      -2.928800      3.8699999E-02
 C  -7.7900000E-02   1.762300       1.218000    
 C   0.2103000       2.037000      -1.164900    
 C  -0.2738000      -1.755200      -1.214800    
 C  -2.1900000E-02  -2.061000       1.168400    
 C   -1.212500       2.572500       1.174100    
 C  -0.9242000       2.847400      -1.208800    
 C   -1.490800      -2.435500      -1.173500    
 C   -1.238900      -2.741600       1.209700    
 C    4.054300     -0.9155000     -0.1730000    
 C   -3.153200       4.741300       1.062200    
 C   -3.598600       3.990900      -1.280200    
 C   -3.658700      -4.377500      -1.066400    
 C   -4.023100      -3.583700       1.275700    
 C    5.349000       1.149500      0.3552000    
 H   0.2423000       1.342100       2.167700    
 H   0.7590000       1.835200      -2.081100    
 H   9.2399999E-02  -1.372300      -2.163900    
 H   0.5440000      -1.921300       2.085800    
 H   -1.750500       2.751000       2.100800    
 H   -1.219400       3.263100      -2.167900    
 H   -2.043500      -2.553300      -2.101200    
 H   -1.579800      -3.122700       2.168100    
 H   -3.839000       5.546000      0.7742000    
 H   -2.277900       5.220900       1.514900    
 H   -3.660000       4.132300       1.818100    
 H   -3.144800       4.649100      -2.028700    
 H   -4.597600       4.383300      -1.059000    
 H   -3.741600       2.995600      -1.716100    
 H   -2.840900      -4.950300      -1.518000    
 H   -4.094200      -3.716100      -1.822800    
 H   -4.429400      -5.102000     -0.7800000    
 H   -4.056400      -2.579000       1.712000    
 H   -3.646000      -4.288200       2.024500    
 H   -5.058800      -3.863500       1.052400    
 H    5.301900       1.726800       1.283200    
 H    5.488100       1.826400     -0.4929000    
 H    6.195800      0.4602000      0.4047000    


%chk=000068877-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000068877

0 1
O 4.975359 -1.201717 1.314480
N -2.665602 4.471956 -0.581429
N -3.097747 -4.170654 0.467126
N 2.818318 1.143319 -0.334097
N 3.925546 0.395488 -0.039337
N 2.643131 -1.361439 0.941759
C 1.605022 0.638394 -0.007021
C 1.524919 -0.739560 0.511418
C 0.468313 1.575648 -0.179857
C 0.289663 -1.553830 0.515688
C -1.641692 3.528900 -0.449072
C -1.991478 -3.321617 0.479849
C -0.618685 1.617974 0.735561
C 0.482912 2.541023 -1.222924
C -0.791863 -1.345198 -0.387232
C 0.209422 -2.679610 1.385874
C -1.648407 2.565179 0.610685
C -0.542097 3.488834 -1.367278
C -1.899551 -2.204722 -0.414609
C -0.898523 -3.535000 1.384855
C 3.899102 -0.770541 0.812583
C -3.760396 4.510985 0.395764
C -2.612684 5.467078 -1.659129
C -4.193899 -3.939880 -0.483379
C -3.144153 -5.337128 1.360499
C 5.226145 0.960027 -0.434252
H -0.656163 0.904885 1.565777
H 1.322347 2.540910 -1.926005
H -0.759210 -0.512719 -1.095650
H 1.053915 -2.868110 2.056067
H -2.455060 2.561043 1.348822
H -0.485488 4.202455 -2.194055
H -2.692463 -2.011186 -1.142251
H -0.914425 -4.376089 2.083393
H -4.468189 5.309181 0.121763
H -3.393266 4.717820 1.422392
H -4.320831 3.554401 0.422053
H -1.713546 6.112982 -1.584165
H -3.501156 6.115594 -1.603462
H -2.604875 4.988299 -2.659317
H -3.851900 -4.014875 -1.535889
H -4.650682 -2.939989 -0.342992
H -4.979631 -4.695383 -0.327323
H -3.093798 -5.037629 2.426322
H -2.310301 -6.040755 1.163336
H -4.090178 -5.878993 1.205633
H 5.742068 1.389050 0.442629
H 5.041410 1.739552 -1.187071
H 5.864044 0.159047 -0.841532


