%chk=000031661.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031661

0 1
 O    2.940400      0.4622000      0.3834000    
 O   -3.169400      -1.138200      -1.192500    
 O   -5.055800      -1.589900      0.6897000    
 N   -4.316000     -0.4000000      0.6715000    
 C   -1.160800      0.8835000     -9.8300003E-02
 C   -2.634000       1.035100     -0.2712000    
 C  -0.6103000      0.8344000       1.182300    
 C  -0.3332000      0.7910000      -1.217400    
 C    1.595700      0.6002000      0.2250000    
 C   0.7679000      0.6928000       1.343900    
 C    1.045100      0.6493000      -1.055800    
 C   -3.385700     -0.2863000     -0.3342000    
 C    3.643400     -0.2555000     -0.6298000    
 C    4.843800     -0.8819000     -7.5000003E-02
 C    5.828900      -1.396700      0.3783000    
 H   -2.854100       1.575800      -1.201000    
 H   -3.035100       1.671000      0.5285000    
 H   -1.244900      0.9035000       2.062000    
 H  -0.7497000      0.8322000      -2.220500    
 H    1.191000      0.6545000       2.344000    
 H    1.655300      0.6074000      -1.953000    
 H    3.023800      -1.054300      -1.057900    
 H    3.927600      0.4420000      -1.426000    
 H   -4.427700      0.2212000       1.464400    
 H   -5.849500      -1.306200      0.2052000    
 H    6.702800      -1.853500      0.7807000    


%chk=000031661-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000031661

0 1
O 2.890344 0.051620 0.542625
O -3.577449 -0.365169 -1.621667
O -5.201826 -1.538229 0.113995
N -4.418285 -0.392466 0.494075
C -1.236086 0.961740 0.108695
C -2.717558 1.323836 -0.002766
C -0.520420 1.220148 1.306667
C -0.543726 0.376820 -0.978288
C 1.525417 0.321838 0.322797
C 0.847322 0.907448 1.419102
C 0.828090 0.053486 -0.881738
C -3.580185 0.147643 -0.446001
C 3.626039 -0.572109 -0.579768
C 5.016735 -0.783594 -0.171897
C 6.194627 -0.980938 0.126750
H -2.863449 2.116623 -0.761218
H -3.080340 1.727706 0.960674
H -1.034031 1.675641 2.162351
H -1.088408 0.157498 -1.903201
H 1.406328 1.105301 2.338492
H 1.325586 -0.400322 -1.744031
H 3.152959 -1.540962 -0.843478
H 3.584568 0.092360 -1.467913
H -4.501935 -0.181629 1.486535
H -4.915830 -1.641938 -0.853117
H 7.221014 -1.148751 0.398623


