%chk=000105639.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105639

1 1
 O   -4.652700      0.1716000      0.1755000    
 O    2.591400       1.631400     -0.7015000    
 N   -1.863500     -9.8099999E-02 -4.0700000E-02
 N    3.686900     -0.8187000      6.4999998E-02
 N    4.767600     -0.9669000      8.8100001E-02
 C   -2.444700      0.9456000      0.8149000    
 C   -2.742000      -1.240100     -0.3168000    
 C   -3.825100       1.328700      0.2940000    
 C   -4.107100     -0.7404000     -0.7768000    
 C  -0.4763000     -0.2752000     -1.6300000E-02
 C   0.3958000      0.7724000     -0.3744000    
 C   9.1700003E-02  -1.506400      0.3685000    
 C    1.779300      0.5961000     -0.3487000    
 C    1.475000      -1.682800      0.3942000    
 C    2.318900     -0.6316000      3.5700001E-02
 C    3.005000       2.514500      0.3393000    
 H   -1.819900       1.844500      0.8521000    
 H   -2.528700      0.5520000       1.835500    
 H   -2.862000      -1.831600      0.5993000    
 H   -2.322100      -1.884800      -1.097800    
 H   -4.309500       2.018300      0.9924000    
 H   -3.759900       1.831600     -0.6785000    
 H   -4.043700     -0.2501000      -1.755900    
 H   -4.800100      -1.582400     -0.8724000    
 H  -9.9999998E-03   1.732300     -0.6884000    
 H  -0.5339000      -2.344000      0.6667000    
 H    1.887700      -2.641300      0.6973000    
 H    2.138500       3.015900      0.7820000    
 H    3.662800       3.271900     -9.5399998E-02
 H    3.559000       1.971300       1.111200    


%chk=000105639-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000105639

1 1
O -4.506918 0.423361 -0.235076
O 2.877250 1.421465 0.141228
N -1.764424 -0.194528 0.495583
N 3.651953 -1.014106 -0.587531
N 4.793098 -1.142996 -0.805704
C -2.379511 1.120540 0.832346
C -2.814953 -1.252544 0.442074
C -3.481307 1.467316 -0.201910
C -3.906665 -0.866604 -0.586110
C -0.432299 -0.392781 0.229900
C 0.524374 0.682770 0.335724
C 0.065354 -1.702975 -0.159749
C 1.878555 0.481880 0.068338
C 1.403363 -1.918353 -0.430638
C 2.339204 -0.835717 -0.327743
C 2.548837 2.810076 0.536458
H -1.635233 1.927342 0.860911
H -2.838711 1.036422 1.835229
H -3.276013 -1.317995 1.445610
H -2.395767 -2.236268 0.195614
H -4.001461 2.391364 0.095215
H -3.030152 1.602490 -1.207926
H -3.476135 -0.830248 -1.609254
H -4.728975 -1.598342 -0.558895
H 0.206958 1.679006 0.642246
H -0.609016 -2.554000 -0.253049
H 1.757003 -2.910615 -0.725191
H 1.848792 3.259830 -0.189845
H 3.510437 3.338618 0.511714
H 2.130765 2.829293 1.558529


