%chk=000004525.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004525

-1 1
 O   -3.424500     -0.3832000      -1.942600    
 O   -3.121000      -1.877500       1.271400    
 N   -3.058600      0.6952000      0.3361000    
 N    5.674500      0.2191000     -9.2799999E-02
 N   -3.245900     -0.5102000     -0.5318000    
 N   -3.268800      -1.867000      4.4300001E-02
 C   0.7325000      0.9993000      0.1364000    
 C    1.861200     -3.4200002E-02  0.1423000    
 C  -0.6374000      0.3248000      0.2489000    
 C    3.258000      0.5898000      6.2700003E-02
 C   -1.764900       1.354900      0.2069000    
 C    4.378900     -0.4467000     -9.3999999E-03
 C   -4.135500       1.690300      0.3286000    
 C    6.751500     -0.7545000     -0.2009000    
 H   0.8697000       1.696600      0.9716000    
 H   0.7816000       1.587000     -0.7882000    
 H    1.794100     -0.6420000       1.053200    
 H    1.726000     -0.7180000     -0.7050000    
 H  -0.6835000     -0.2441000       1.186200    
 H  -0.7228000     -0.3916000     -0.5758000    
 H    3.407800       1.236000      0.9373000    
 H    3.306900       1.238700     -0.8216000    
 H   -1.625800       2.069400       1.027500    
 H   -1.709200       1.916300     -0.7344000    
 H    4.223600      -1.079000     -0.8919000    
 H    4.337600      -1.090200      0.8777000    
 H    5.818300      0.7936000      0.7372000    
 H   -4.194500       2.220200     -0.6281000    
 H   -3.996500       2.424000       1.129900    
 H   -5.097900       1.199300      0.5080000    
 H    7.710300     -0.2310000     -0.2677000    
 H    6.646800      -1.363900      -1.104400    
 H    6.788000      -1.412600      0.6733000    


%chk=000004525-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000004525

-1 1
O -3.750199 0.199927 -1.817176
O -2.959935 -2.068595 0.830982
N -3.111826 0.673896 0.505587
N 5.751887 0.179896 -0.155244
N -3.436464 -0.322381 -0.610050
N -3.357731 -1.680842 -0.380101
C 0.729348 0.929205 0.045468
C 1.888768 -0.089375 0.125994
C -0.652479 0.287012 0.295259
C 3.281504 0.546573 -0.084175
C -1.801660 1.304718 0.183987
C 4.431654 -0.474111 0.003372
C -4.208789 1.672161 0.531945
C 6.902311 -0.731090 -0.026805
H 0.904926 1.738698 0.788297
H 0.738072 1.415600 -0.953556
H 1.855721 -0.595803 1.113327
H 1.724117 -0.882498 -0.632155
H -0.694442 -0.181871 1.296116
H -0.830621 -0.528575 -0.430295
H 3.436285 1.338635 0.681795
H 3.325275 1.049114 -1.070348
H -1.645563 2.124084 0.918581
H -1.818424 1.757379 -0.839557
H 4.321546 -1.223864 -0.806021
H 4.349396 -1.036618 0.970259
H 5.832621 0.993066 0.470956
H -4.312515 2.228701 -0.427576
H -4.012828 2.381390 1.360535
H -5.157994 1.145458 0.729778
H 7.846048 -0.162682 -0.120715
H 6.876731 -1.472588 -0.847907
H 6.935762 -1.305821 0.934341


