%chk=000018189.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018189

0 1
 O    3.450400      -1.302900     -8.0399998E-02
 O    3.091900      0.6813000      0.9626000    
 O   -2.838900      0.7260000       1.032900    
 N   -1.630400     -0.1118000     -0.7731000    
 C   0.5087000      0.9961000     -0.2221000    
 C  -0.8000000       1.037500      -1.009900    
 C    1.412400     -0.1886000     -0.5734000    
 C    2.721100     -0.1874000      0.1856000    
 C   -2.584900     -0.1712000      0.2335000    
 C   -3.330300      -1.478900      0.2443000    
 H   0.2880000      0.9713000      0.8529000    
 H    1.054200       1.930600     -0.4036000    
 H  -0.5945000       1.075900      -2.084900    
 H   -1.358800       1.940900     -0.7423000    
 H    1.645700     -0.1676000      -1.643800    
 H   0.8965000      -1.127200     -0.3426000    
 H   -1.505300     -0.9168000      -1.380100    
 H   -3.893500      -1.573900       1.176800    
 H   -4.023300      -1.509700     -0.6008000    
 H   -2.630100      -2.316200      0.1724000    
 H    4.295800      -1.313900      0.4170000    


%chk=000018189-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000018189

0 1
O 3.480123 -1.324610 0.067675
O 3.215376 0.831376 0.888495
O -2.795502 0.786091 0.912639
N -1.627677 -0.177318 -0.850295
C 0.516605 1.002052 -0.204744
C -0.769573 1.004131 -1.061780
C 1.445210 -0.184105 -0.524574
C 2.763475 -0.124441 0.223060
C -2.600227 -0.201943 0.141510
C -3.418681 -1.488238 0.234120
H 0.235131 0.987793 0.863150
H 1.057996 1.951669 -0.373423
H -0.518059 1.063301 -2.138303
H -1.370443 1.891417 -0.795935
H 1.686224 -0.217452 -1.607494
H 0.962069 -1.150842 -0.289197
H -1.509793 -0.993675 -1.450912
H -3.313134 -1.910648 1.248165
H -4.485866 -1.245102 0.092627
H -3.126421 -2.254966 -0.504703
H 4.347866 -1.250989 0.550918


