%chk=000161783.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161783

0 1
 O   2.7000001E-03   2.944600      0.3577000    
 O    4.604700      0.8110000      0.4475000    
 O    4.137600      -1.856500     -0.1650000    
 N   -2.905700     -0.4272000     -0.6432000    
 N   -1.386400       1.156700     -0.1498000    
 N  -0.5739000      -1.029800     -0.5230000    
 C   -3.719600      0.7511000     -0.3492000    
 C   -4.530000      0.4842000      0.9217000    
 C   -2.665100       1.854100     -0.1704000    
 C   -3.565000      -1.705200     -0.7998000    
 C   -5.321800     -0.8208000      0.7942000    
 C   -4.399400      -1.994800      0.4481000    
 C   -1.561600     -0.1948000     -0.4562000    
 C  -0.1669000       1.758000      0.1043000    
 C   0.9735000      0.8144000      3.7500001E-02
 C   0.7216000     -0.5330000     -0.2736000    
 C    2.274600       1.266100      0.2788000    
 C    1.802900      -1.418900     -0.3368000    
 C    3.338200      0.3676000      0.2112000    
 C    3.103600     -0.9716000     -9.6199997E-02
 C    5.346700       1.281100     -0.6760000    
 C    4.489400      -2.536300       1.038200    
 H   -4.387600      0.9842000      -1.186500    
 H   -5.212600       1.319700       1.113900    
 H   -3.862900      0.4083000       1.790400    
 H   -2.654100       2.538500      -1.026200    
 H   -2.786100       2.449900      0.7401000    
 H   -2.841100      -2.511000     -0.9624000    
 H   -4.214000      -1.671100      -1.682700    
 H   -6.084700     -0.7121000      1.3700000E-02
 H   -5.847000      -1.028100       1.733200    
 H   -3.730200      -2.184500       1.297000    
 H   -4.993200      -2.902900      0.2962000    
 H    2.469400       2.307900      0.5198000    
 H    1.630800      -2.466100     -0.5765000    
 H    4.848600       2.143100      -1.131000    
 H    5.471200      0.4847000      -1.416600    
 H    6.335400       1.592100     -0.3277000    
 H    5.332300      -3.198900      0.8235000    
 H    3.650500      -3.141700       1.395900    
 H    4.793600      -1.822100       1.809800    


%chk=000161783-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161783

0 1
O -0.117334 3.018788 0.533063
O 4.618790 0.822697 0.488126
O 4.086621 -1.957951 -0.219156
N -2.968430 -0.356285 -0.671826
N -1.463855 1.212589 -0.066439
N -0.654064 -1.027114 -0.540782
C -3.804547 0.815870 -0.296168
C -4.687043 0.467678 0.927527
C -2.750273 1.943647 -0.045435
C -3.577503 -1.679911 -0.841033
C -5.456111 -0.854932 0.681045
C -4.481004 -2.018842 0.371272
C -1.627666 -0.134677 -0.434638
C -0.208033 1.792553 0.217482
C 0.903323 0.824910 0.102264
C 0.640274 -0.542760 -0.272031
C 2.231978 1.253624 0.344088
C 1.735325 -1.445054 -0.354691
C 3.303532 0.359412 0.236250
C 3.044377 -1.015526 -0.090585
C 5.488687 0.843414 -0.711180
C 4.890840 -2.183251 1.006310
H -4.463093 1.077959 -1.148411
H -5.389829 1.300366 1.122893
H -4.040066 0.362401 1.821350
H -2.756817 2.717623 -0.832224
H -2.889570 2.445560 0.927107
H -2.756508 -2.407250 -0.957490
H -4.181191 -1.685793 -1.771569
H -6.155797 -0.721830 -0.170822
H -6.074567 -1.101593 1.563764
H -3.842912 -2.212696 1.255338
H -5.043203 -2.947722 0.158666
H 2.417454 2.299898 0.606673
H 1.551497 -2.490129 -0.615978
H 5.082916 1.546970 -1.462736
H 5.577535 -0.166630 -1.151986
H 6.469324 1.197233 -0.357798
H 5.683894 -2.885350 0.707513
H 4.258180 -2.640989 1.790129
H 5.323272 -1.237009 1.376017


