%chk=000122214.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122214

0 1
 I    6.243100      0.6682000       2.578000    
 O    3.376800     -4.5100000E-02 -0.4812000    
 O   -2.368600      -2.497700       1.151000    
 O   -4.324200       2.623900      0.1517000    
 O   -4.837300      0.7761000       1.220100    
 O    4.352700       1.871100      0.3413000    
 N   0.8547000     -0.9664000      -1.366600    
 N   -1.211700      -2.333000      0.4088000    
 N   -3.158100      -1.360600       1.134600    
 N   -4.057900       1.441000      0.4889000    
 C  -0.3444000     -0.4094000     -0.9008000    
 C    1.745400     -0.2008000      -2.223500    
 C   -1.264800      -1.088200     -8.1100002E-02
 C    2.615600      0.7319000      -1.396600    
 C  -0.7207000      0.9050000      -1.231800    
 C   -2.502100     -0.4701000      0.3802000    
 C    1.227800      -2.326600      -1.014500    
 C   -2.859100      0.8469000      3.6899999E-02
 C   -1.925500       1.506800     -0.7826000    
 C    4.221300      0.6556000      0.3459000    
 C    4.937000     -0.3286000       1.241300    
 H    1.205100      0.3409000      -3.007900    
 H    2.403800     -0.8907000      -2.767700    
 H    2.016200       1.459600     -0.8400000    
 H    3.295900       1.274800      -2.063000    
 H  -9.8700002E-02   1.537700      -1.860400    
 H    2.198200      -2.599400      -1.445600    
 H   0.5054000      -3.050900      -1.405400    
 H    1.339100      -2.441000      6.8999998E-02
 H   -2.112700       2.532000      -1.102400    
 H    5.504000      -1.020700      0.6104000    
 H    4.186600     -0.8927000       1.804500    


%chk=000122214-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122214

0 1
I 6.984044 -1.029337 -0.193400
O 3.529716 0.035733 -0.221698
O -2.691897 -2.707832 0.873456
O -4.574379 2.585436 -0.301079
O -5.296157 0.635168 0.662006
O 4.640974 1.972155 0.457039
N 0.802892 -0.894707 -1.118103
N -1.411551 -2.451538 0.297136
N -3.572537 -1.549531 0.796665
N -4.395876 1.352340 0.070768
C -0.439928 -0.382460 -0.804443
C 1.769480 -0.079393 -1.886842
C -1.476663 -1.163232 -0.131935
C 2.606846 0.879814 -1.031302
C -0.818584 0.954436 -1.122702
C -2.801317 -0.611019 0.172231
C 1.268843 -2.260944 -0.782439
C -3.102562 0.740794 -0.195466
C -2.098636 1.482065 -0.832243
C 4.537408 0.727330 0.463592
C 5.444174 -0.237061 1.189855
H 1.242033 0.499667 -2.666250
H 2.453466 -0.771279 -2.407522
H 1.993351 1.490857 -0.346887
H 3.206641 1.556188 -1.667768
H -0.107631 1.624414 -1.608894
H 2.324979 -2.203558 -0.473346
H 1.184544 -2.926454 -1.663792
H 0.670069 -2.693716 0.029001
H -2.336086 2.515050 -1.104628
H 4.905655 -1.119402 1.559813
H 6.001587 0.279613 1.980677


