%chk=000178291.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178291

0 1
 O  -0.4863000       3.645500      0.3732000    
 N  -4.8799999E-02   1.560500     -0.5466000    
 N    1.722100       3.078300     -9.7000003E-03
 N   -4.469500      -2.369100      -1.465800    
 N   -3.336900     -0.4605000       2.856900    
 C    3.357400      -2.945600      1.3800000E-02
 C    2.463600      -1.760800     -0.1342000    
 C   0.8185000      0.4139000     -0.4042000    
 C   -1.338700       1.431000      -1.232700    
 C   -2.236700      0.4349000     -0.5577000    
 C    1.611800      -1.663000      -1.234400    
 C    2.477900     -0.7517000      0.8287000    
 C   0.7744000     -0.5559000      -1.371800    
 C    1.640500      0.3554000      0.6912000    
 C    3.046100      -3.763200       1.281600    
 C    4.849700      -2.564100     -8.5000005E-03
 C   0.3387000       2.815000     -2.6300000E-02
 C   -2.366100      0.4534000      0.8259000    
 C   -2.929000     -0.4957000      -1.323400    
 C   -3.763100      -1.421200     -0.6962000    
 C   -3.200100     -0.4721000       1.453100    
 C   -3.898600      -1.409500      0.6920000    
 C    2.334100       3.953600      0.9803000    
 C    2.639000       2.490900     -0.9852000    
 H    3.196100      -3.620000     -0.8384000    
 H   -1.154200       1.188500      -2.285200    
 H   -1.850800       2.401200      -1.240600    
 H    1.591700      -2.438000      -1.996000    
 H    3.122200     -0.8149000       1.701200    
 H   0.1452000     -0.5050000      -2.252300    
 H    1.628100       1.081200       1.497300    
 H    3.254200      -3.197000       2.195800    
 H    3.653100      -4.674700       1.308900    
 H    1.991800      -4.060500       1.303600    
 H    5.093300      -2.000100     -0.9158000    
 H    5.475900      -3.462600      7.3000002E-03
 H    5.127700      -1.948500      0.8537000    
 H   -1.836500       1.188200       1.427000    
 H   -2.823700     -0.5041000      -2.405500    
 H   -4.549000      -2.131500       1.181200    
 H    1.591100       4.286900       1.709800    
 H    3.126300       3.406700       1.499400    
 H    2.756000       4.824300      0.4708000    
 H    3.211400       3.317500      -1.423500    
 H    3.361600       1.831400     -0.4996000    
 H    2.130100       2.009900      -1.822500    
 H   -4.371000      -2.378600      -2.472300    
 H   -5.073900      -3.040800      -1.011700    
 H   -2.829800      0.2181000       3.409400    
 H   -3.941100      -1.131500       3.312300    


%chk=000178291-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178291

0 1
O -0.622444 3.465368 0.510273
N 0.093517 1.577617 -0.702873
N 1.664333 3.193035 0.125764
N -3.866274 -2.842637 -0.866782
N -3.904870 0.353004 2.834882
C 3.421938 -3.205846 -0.284254
C 2.562223 -1.943829 -0.392100
C 0.930143 0.413225 -0.598657
C -1.285639 1.411416 -1.267297
C -2.186667 0.470707 -0.472653
C 1.867731 -1.631418 -1.586487
C 2.415803 -1.050010 0.701162
C 1.068347 -0.473381 -1.696260
C 1.609958 0.101425 0.609197
C 2.865457 -4.185124 0.784410
C 4.909190 -2.866608 0.002986
C 0.334481 2.777032 0.018653
C -2.615661 0.848153 0.819031
C -2.600639 -0.753485 -1.042039
C -3.455705 -1.625507 -0.308023
C -3.471084 -0.016281 1.556760
C -3.887076 -1.251390 0.990170
C 1.979688 4.277406 1.068255
C 2.752030 2.778515 -0.772798
H 3.379555 -3.722009 -1.265050
H -1.194882 1.058263 -2.310968
H -1.722291 2.423932 -1.284167
H 1.957501 -2.302879 -2.450034
H 2.923225 -1.263854 1.650027
H 0.557378 -0.257384 -2.640622
H 1.489879 0.757868 1.477440
H 2.893000 -3.729501 1.791850
H 3.468416 -5.112044 0.815876
H 1.816930 -4.457257 0.567766
H 5.325842 -2.204454 -0.777425
H 5.519944 -3.788100 0.040349
H 5.016823 -2.351501 0.975887
H -2.289559 1.810197 1.231470
H -2.258001 -1.040136 -2.044554
H -4.547677 -1.919490 1.559515
H 1.095097 4.473890 1.691764
H 2.836882 3.991880 1.708659
H 2.238380 5.211546 0.530322
H 3.324333 3.675024 -1.080245
H 3.447308 2.064301 -0.289617
H 2.342825 2.299371 -1.674572
H -3.549326 -3.119757 -1.790146
H -4.470068 -3.475442 -0.351864
H -3.619653 1.241467 3.234800
H -4.534843 -0.239221 3.366515


