%chk=000169205.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169205

0 1
 O    1.866200      0.8116000     -0.9768000    
 N   0.2541000       2.842400      0.1617000    
 N   -2.633100      0.2072000      0.3541000    
 C    1.447100       3.140900     -0.6298000    
 C    2.463300       2.015900     -0.5143000    
 C    2.322000     -0.3563000     -0.4234000    
 C    1.462000      -1.204600      0.2667000    
 C  -0.7370000       3.907600      1.3800000E-02
 C   0.6064000       2.664000       1.569800    
 C    3.668100     -0.6792000     -0.5658000    
 C    1.952400      -2.387400      0.8201000    
 C   5.0000001E-02 -0.8838000      0.4266000    
 C    4.158700      -1.862100     -1.2600000E-02
 C    3.300700      -2.716100      0.6803000    
 C  -0.9375000      -1.278500     -0.4094000    
 C   -2.368100     -0.9700000     -0.2366000    
 C   -3.308700      -1.874300     -0.6734000    
 C   -4.645600      -1.540600     -0.4875000    
 C   -4.977400     -0.3340000      0.1186000    
 C   -3.943400      0.4973000      0.5179000    
 H    1.908800       4.088800     -0.3263000    
 H    1.155400       3.234200      -1.683600    
 H    2.873500       1.919500      0.4980000    
 H    3.308400       2.246600      -1.174800    
 H   -1.025800       4.021900      -1.036900    
 H  -0.3659000       4.872700      0.3772000    
 H   -1.652500       3.660500      0.5630000    
 H  -0.3020000       2.547200       2.173600    
 H    1.162600       3.519300       1.971000    
 H    1.182000       1.752300       1.749100    
 H    4.346500     -2.8400000E-02  -1.110500    
 H    1.297800      -3.064300       1.364100    
 H  -0.1827000     -0.2838000       1.302600    
 H    5.208100      -2.119100     -0.1231000    
 H    3.682700      -3.637200       1.110700    
 H  -0.6910000      -1.913200      -1.258200    
 H   -3.041000      -2.814200      -1.143900    
 H   -5.427600      -2.219600     -0.8140000    
 H   -6.012800     -5.3199999E-02  0.2737000    
 H   -4.148700       1.449800      0.9953000    


%chk=000169205-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169205

0 1
O 1.604089 0.912623 -0.342341
N 0.990247 3.656910 0.858291
N -3.009070 -0.286067 -0.322066
C 1.619624 3.319674 -0.433055
C 2.508977 2.073405 -0.352799
C 2.142981 -0.365285 -0.172278
C 1.187036 -1.436446 -0.100271
C -0.394491 4.149202 0.753002
C 1.841266 4.484213 1.728199
C 3.533254 -0.620658 -0.085331
C 1.695781 -2.755968 0.056888
C -0.243252 -1.122475 -0.179705
C 3.996449 -1.944947 0.071515
C 3.077228 -3.017659 0.141987
C -1.279023 -2.020759 -0.199358
C -2.693192 -1.630226 -0.270418
C -3.711765 -2.629021 -0.283426
C -5.066621 -2.246703 -0.347591
C -5.387631 -0.870179 -0.398413
C -4.320606 0.062180 -0.383453
H 2.233789 4.165542 -0.835263
H 0.830457 3.114440 -1.178777
H 3.123771 2.081101 0.569447
H 3.178241 2.010178 -1.237179
H -1.006677 3.416151 0.199431
H -0.485952 5.143200 0.244129
H -0.825751 4.249737 1.765642
H 1.377484 4.575904 2.726566
H 2.014015 5.518505 1.330173
H 2.829287 4.007473 1.864262
H 4.255258 0.198630 -0.143549
H 0.989813 -3.591052 0.122856
H -0.508469 -0.060770 -0.228074
H 5.073395 -2.135697 0.138072
H 3.436484 -4.044569 0.265883
H -1.092849 -3.102828 -0.164887
H -3.430560 -3.687383 -0.242336
H -5.857064 -3.005034 -0.357531
H -6.424932 -0.524959 -0.448353
H -4.525022 1.139419 -0.422890


