%chk=000118055.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118055

0 1
 O   -1.668300       1.965100     -0.4273000    
 N   -2.853200     -0.9289000       1.239800    
 N   -2.503400     -0.4433000      -1.074500    
 C   -1.456900      0.9565000      0.5546000    
 C   -2.329000     -0.2079000      0.1871000    
 C   -3.352000      -2.672300     -0.3392000    
 C   -3.696500      -2.081400       1.021100    
 C  -1.6899999E-02  0.5740000      0.6263000    
 C   -3.383100      -1.577300      -1.403500    
 C   0.6214000      4.5899998E-02 -0.4962000    
 C    1.976600     -0.3191000     -0.4448000    
 C   0.6895000      0.7447000       1.813200    
 C    2.694800     -0.1452000      0.7622000    
 C    2.036500      0.3880000       1.882200    
 C  -0.9247000       3.139300     -0.1345000    
 C    2.634900     -0.8519000      -1.565100    
 C    4.050100     -0.5102000      0.8136000    
 C    3.981800      -1.209100      -1.496100    
 C    4.688000      -1.038700     -0.3091000    
 C   -1.189600       4.171500      -1.209700    
 H   -1.809200       1.347200       1.518900    
 H   -4.054500      -3.472500     -0.5950000    
 H   -2.348200      -3.114800     -0.3043000    
 H   -4.747100      -1.773100       1.049500    
 H   -3.538900      -2.820500       1.812800    
 H   -3.056400      -2.000200      -2.359600    
 H   -4.404700      -1.205900      -1.545800    
 H   -2.667900     -0.6558000       2.200500    
 H   7.8299999E-02 -7.3299997E-02  -1.431100    
 H   0.2060000       1.155300       2.695700    
 H    2.568900      0.5304000       2.820400    
 H   -1.229300       3.539500      0.8394000    
 H   0.1529000       2.949700     -0.1214000    
 H    2.102800     -0.9942000      -2.503400    
 H    4.621800     -0.3855000       1.730900    
 H    4.479000      -1.620500      -2.369800    
 H    5.736500      -1.317000     -0.2561000    
 H  -0.6374000       5.094600      -1.011400    
 H  -0.8960000       3.788400      -2.192600    
 H   -2.258100       4.404800      -1.265300    


%chk=000118055-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000118055

0 1
O -1.666853 1.795166 0.058523
N -2.743712 -0.529343 -0.600632
N -2.334048 -1.372760 1.631769
C -1.231125 0.686862 0.922579
C -2.180087 -0.492743 0.665757
C -4.305156 -2.225726 0.270030
C -3.649079 -1.621917 -0.994774
C 0.226749 0.284158 0.663231
C -3.217450 -2.533340 1.330830
C 0.863496 0.582454 -0.544290
C 2.216686 0.177778 -0.788902
C 0.932881 -0.448442 1.674835
C 2.929768 -0.555043 0.238506
C 2.250039 -0.855724 1.465969
C -1.144177 3.109413 0.478158
C 2.890232 0.475888 -2.020335
C 4.284576 -0.956753 -0.005077
C 4.210525 0.070336 -2.230901
C 4.914660 -0.651679 -1.214257
C -1.673578 4.149638 -0.507707
H -1.352486 0.958151 1.990770
H -4.865806 -3.140834 0.004821
H -5.022994 -1.495342 0.688791
H -3.088656 -2.409623 -1.539562
H -4.419201 -1.227923 -1.683432
H -3.689120 -2.852569 2.278099
H -2.588286 -3.382854 0.989789
H -2.645848 0.312626 -1.170645
H 0.317360 1.136128 -1.317631
H 0.408318 -0.704368 2.601884
H 2.783249 -1.416520 2.243137
H -1.493438 3.322362 1.511317
H -0.035100 3.087083 0.483191
H 2.350450 1.028869 -2.798903
H 4.820867 -1.511039 0.774862
H 4.714368 0.303184 -3.175631
H 5.949909 -0.963914 -1.391215
H -1.322522 5.158677 -0.224832
H -1.319579 3.933523 -1.530995
H -2.777331 4.152461 -0.514727


