%chk=000050476.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050476

0 1
 I   0.6629000       2.633100       1.300000    
 I   -1.509500      -3.022500      0.4850000    
 I    4.276300      -1.983600     -0.4714000    
 O   -2.138800     -0.9566000      -1.735800    
 O   -4.017300     -0.9974000     -0.4649000    
 O    3.318800       1.872400      -1.808000    
 N    3.310900       1.013900      0.3960000    
 C   -2.324200      0.6902000     -7.9999998E-04
 C   -1.493900      0.1924000       1.196700    
 C   -3.439600       1.636300      0.4810000    
 C  -0.1181000     -0.2933000      0.8066000    
 C   -2.929000     -0.5023000     -0.7299000    
 C   -4.319200       2.135400     -0.6587000    
 C   0.9528000      0.5923000      0.7849000    
 C   5.9200000E-02  -1.630600      0.4717000    
 C    2.219600      0.1340000      0.4228000    
 C    1.325800      -2.088700      0.1096000    
 C    2.406100      -1.206500      8.5100003E-02
 C    3.757200       1.781700     -0.6698000    
 H   -1.702800       1.244400     -0.7159000    
 H   -2.046700     -0.5753000       1.749900    
 H   -1.427800      0.9668000       1.966800    
 H   -2.991000       2.503400      0.9802000    
 H   -4.073300       1.134500       1.222800    
 H   -3.716200       2.614100      -1.437000    
 H   -5.029400       2.878300     -0.2808000    
 H   -4.901800       1.332600      -1.118300    
 H    1.471100      -3.134500     -0.1536000    
 H    3.823200       1.092100       1.271300    
 H   -2.542300      -1.719700      -2.201600    
 H    4.639600       2.366100     -0.3576000    


%chk=000050476-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050476

0 1
I 0.628735 2.592169 1.197601
I -1.356104 -3.335304 0.959097
I 4.426685 -2.042009 -0.245399
O -1.868809 -0.689114 -1.901316
O -3.930063 -0.970723 -0.874897
O 2.532715 2.045864 -1.761844
N 3.301131 1.013052 0.213882
C -2.341268 0.723372 0.004323
C -1.574904 0.085409 1.221285
C -3.529205 1.579155 0.507989
C -0.176448 -0.408475 0.897299
C -2.829885 -0.377072 -0.931095
C -4.250658 2.349649 -0.617569
C 0.919068 0.498447 0.759728
C 0.137439 -1.788743 0.742787
C 2.234231 0.082117 0.405124
C 1.437807 -2.247331 0.446913
C 2.470235 -1.311445 0.263132
C 3.395418 1.898518 -0.865423
H -1.636637 1.358066 -0.562701
H -2.189021 -0.730564 1.639713
H -1.509333 0.871832 1.995814
H -3.135971 2.298547 1.253211
H -4.250274 0.922616 1.031377
H -3.550081 3.008747 -1.163935
H -5.055849 2.982323 -0.202616
H -4.712876 1.657476 -1.343705
H 1.639290 -3.314769 0.345404
H 4.130827 0.915014 0.807009
H -2.202307 -1.437612 -2.468254
H 4.348709 2.473789 -0.826633


