%chk=000155614.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155614

0 1
 O   7.7000000E-03   2.307100      -1.042400    
 O   -2.408900      0.9486000      -1.276900    
 O    1.628100       1.953200       1.125800    
 O   -2.572900      8.8000000E-03   1.407800    
 O   -3.979000      -1.830400      6.1600000E-02
 N    2.892200     -0.5024000      0.5287000    
 N    3.715000      -1.186400     -0.1025000    
 N    4.476900      -1.815300     -0.6726000    
 C  -0.4004000       1.399400     -1.9800000E-02
 C   -1.314900      0.3123000     -0.6138000    
 C   0.8591000      0.8337000      0.6687000    
 C   -1.857600     -0.7008000      0.4056000    
 C    1.745700     -1.2200000E-02 -0.2466000    
 C   -2.791000      -1.715600     -0.2236000    
 H  -0.9599000       2.010300      0.6992000    
 H  -0.7874000     -0.2205000      -1.412100    
 H   0.5824000      0.2525000       1.555400    
 H   -1.042900      -1.253400      0.8835000    
 H    1.193300     -0.8687000     -0.6462000    
 H    2.112400      0.5926000      -1.085000    
 H  -0.7975000       2.642500      -1.472300    
 H   -2.929500       1.416600     -0.6016000    
 H    1.073900       2.454200       1.748400    
 H   -2.327600      -2.376700     -0.9762000    
 H   -2.806500     -0.6270000       2.105700    


%chk=000155614-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155614

0 1
O 0.087070 2.063941 -1.175733
O -2.420719 1.014606 -1.251000
O 1.826942 1.467378 1.253023
O -2.873447 0.367002 1.380653
O -4.179788 -1.756631 0.382209
N 2.840165 -1.004580 -0.074137
N 4.059375 -0.698373 0.058163
N 5.227709 -0.599695 0.248234
C -0.295685 1.221950 -0.044450
C -1.391676 0.234357 -0.540575
C 0.979460 0.538358 0.496560
C -2.078809 -0.567509 0.592022
C 1.884761 0.007172 -0.625981
C -2.976672 -1.673900 0.035986
H -0.744630 1.835695 0.770797
H -0.968420 -0.444415 -1.302689
H 0.686333 -0.312444 1.151318
H -1.307641 -1.058135 1.226596
H 1.284553 -0.511145 -1.392222
H 2.391485 0.865303 -1.098636
H -0.758063 2.300197 -1.647791
H -3.020188 1.381579 -0.541678
H 1.334604 1.810177 2.041025
H -2.508863 -2.398184 -0.668780
H -3.767155 -0.060305 1.525884


