%chk=000166777.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000166777

0 1
 O   -2.014400      -1.466900     -0.3070000    
 O    5.167300      0.7753000      0.2423000    
 O    4.794900      -1.382800      0.3953000    
 N   -3.378000      0.3757000     -0.6132000    
 N   -1.107800      0.6962000     -0.4068000    
 N    4.385100     -0.2059000      0.2470000    
 C   -4.621700     -0.3407000     -0.6779000    
 C   -5.268600     -0.5053000      0.6921000    
 C   0.2785000      0.4683000     -0.2429000    
 C   -5.599700      0.8267000       1.350100    
 C   -2.135900     -0.2503000     -0.4286000    
 C    1.148100       1.546600     -0.2484000    
 C   0.7381000     -0.8284000     -7.9300001E-02
 C    2.993800      2.2399999E-02  7.9999998E-02
 C    2.515200       1.322100     -8.6000003E-02
 C    2.105200      -1.052900      8.3200000E-02
 H   -4.445500      -1.326200      -1.122400    
 H   -5.284200      0.2160000      -1.349200    
 H   -6.190700      -1.087600      0.5827000    
 H   -4.604700      -1.073500       1.354200    
 H   -3.402400       1.386900     -0.7000000    
 H   -6.256400       1.426700      0.7122000    
 H   -6.114000      0.6580000       2.301600    
 H   -4.695600       1.407100       1.558300    
 H   -1.382000       1.668700     -0.5219000    
 H   0.7853000       2.562700     -0.3766000    
 H   0.1155000      -1.710600     -6.5499999E-02
 H    3.177800       2.183800     -9.3599997E-02
 H    2.443400      -2.078400      0.2102000    


%chk=000166777-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000166777

0 1
O -1.998786 -1.474416 -0.406919
O 5.298863 0.839524 0.218988
O 4.963668 -1.418845 0.270940
N -3.384608 0.402338 -0.542488
N -1.065943 0.702708 -0.370833
N 4.529576 -0.202547 0.185130
C -4.628230 -0.387761 -0.603621
C -5.376515 -0.471222 0.748402
C 0.307455 0.416386 -0.234759
C -5.848004 0.899080 1.280842
C -2.144675 -0.217712 -0.434548
C 1.203581 1.527117 -0.192855
C 0.827126 -0.908233 -0.137330
C 3.080451 0.010496 0.040955
C 2.583877 1.331207 -0.056032
C 2.210769 -1.103228 0.000736
H -4.340903 -1.399399 -0.936656
H -5.287474 0.056179 -1.374907
H -6.251189 -1.136367 0.607525
H -4.718310 -0.962862 1.489265
H -3.465572 1.419033 -0.500431
H -6.511368 1.405785 0.553710
H -6.411293 0.785296 2.224076
H -4.991646 1.567783 1.491208
H -1.295564 1.696705 -0.442628
H 0.809570 2.548399 -0.268037
H 0.138033 -1.752915 -0.174387
H 3.282665 2.170784 -0.022333
H 2.631048 -2.109612 0.076887


