%chk=000036997.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036997

0 1
 O  -0.7845000       1.566300       2.255700    
 N    2.753800      0.8881000     -0.3678000    
 N   -1.334400     -0.4439000       1.151900    
 C   0.9507000      0.2046000       1.160300    
 C    1.488800       1.295800      0.2353000    
 C   0.7299000      -1.094500      0.4253000    
 C  -0.4834000      0.5699000       1.613900    
 C    3.777200      0.6458000      0.6610000    
 C    3.207500       1.842100      -1.377700    
 C  -0.6252000      -1.427500      0.4509000    
 C    1.843800      1.8800000E-02   2.386800    
 C    5.218300      0.7845000      0.1498000    
 C    4.376300       1.250800      -2.175000    
 C    5.327900      0.4096000      -1.320700    
 C    1.646400      -1.914700     -0.2126000    
 C   -2.762400     -0.4926000       1.358400    
 C   -1.106100      -2.577300     -0.1524000    
 C    1.178700      -3.079100     -0.8270000    
 C  -0.1867000      -3.407500     -0.7969000    
 C   -3.513300      0.1950000      0.2492000    
 C   -3.801000       1.548500      0.3555000    
 C   -3.906800     -0.5343000     -0.8642000    
 C   -4.496400       2.185700     -0.6722000    
 C   -4.602200      0.1029000      -1.891800    
 C   -4.896900       1.463000      -1.795800    
 H    1.593600       2.247000      0.7754000    
 H   0.7529000       1.479700     -0.5605000    
 H    3.753900     -0.3885000      0.9894000    
 H    3.719800       1.352500       1.493400    
 H    3.505700       2.790600     -0.9119000    
 H    2.403100       2.076800      -2.085800    
 H    1.204300     -0.3269000       3.215800    
 H    2.580400     -0.7842000       2.348000    
 H    2.249000      0.9553000       2.781400    
 H    5.893500      0.1639000      0.7506000    
 H    5.552500       1.823000      0.2741000    
 H    4.931300       2.072600      -2.643400    
 H    3.995700      0.6270000      -2.993400    
 H    6.357500      0.5320000      -1.674700    
 H    5.079600     -0.6526000      -1.440400    
 H    2.707200      -1.716500     -0.2492000    
 H   -2.985200      1.2900000E-02   2.307200    
 H   -3.100700      -1.526900       1.489900    
 H   -2.147000      -2.869900     -0.1162000    
 H    1.878100      -3.742200      -1.329300    
 H  -0.5281000      -4.322400      -1.273800    
 H   -3.494700       2.122100       1.225600    
 H   -3.712100      -1.596400     -0.9520000    
 H   -4.726100       3.244600     -0.5973000    
 H   -4.919200     -0.4608000      -2.764300    
 H   -5.439500       1.958800      -2.595400    


%chk=000036997-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000036997

0 1
O -0.651226 1.028649 2.742852
N 2.966247 1.039887 0.107574
N -1.318207 -0.565850 1.124843
C 1.035983 -0.156201 1.292811
C 1.606359 1.171736 0.649558
C 0.728603 -1.229730 0.258808
C -0.370960 0.188920 1.842181
C 3.998206 1.839425 0.824756
C 3.095317 1.117464 -1.366595
C -0.679556 -1.419770 0.183624
C 1.970055 -0.636295 2.426782
C 5.338758 1.859605 0.041416
C 4.407866 0.427118 -1.834902
C 5.519911 0.548923 -0.755123
C 1.578055 -2.001112 -0.548499
C -2.763453 -0.484183 1.377211
C -1.263614 -2.349426 -0.695967
C 1.010207 -2.950311 -1.439963
C -0.393030 -3.115795 -1.512296
C -3.547082 0.194600 0.255357
C -3.167805 1.483174 -0.199117
C -4.675113 -0.434523 -0.323615
C -3.902843 2.127626 -1.216795
C -5.415586 0.210387 -1.341557
C -5.029504 1.492737 -1.792455
H 1.578009 1.938234 1.451821
H 0.901160 1.505020 -0.140075
H 4.151700 1.391807 1.826100
H 3.652958 2.890635 0.992039
H 3.077983 2.179331 -1.721024
H 2.224153 0.615421 -1.821038
H 1.628242 -1.597617 2.848265
H 2.987488 -0.770466 2.019771
H 1.996501 0.112198 3.239340
H 6.173068 2.016772 0.749804
H 5.354980 2.713952 -0.663329
H 4.739137 0.895852 -2.782225
H 4.216026 -0.640417 -2.051959
H 6.520010 0.513295 -1.226933
H 5.459259 -0.306143 -0.055730
H 2.662915 -1.867362 -0.484103
H -2.860656 0.096549 2.314767
H -3.160423 -1.500897 1.560743
H -2.348429 -2.475242 -0.763204
H 1.662317 -3.559005 -2.075714
H -0.818355 -3.848004 -2.207917
H -2.301194 1.980229 0.252917
H -4.979106 -1.430566 0.024051
H -3.602882 3.124540 -1.559042
H -6.286900 -0.286988 -1.782385
H -5.600050 1.993317 -2.582734


