%chk=000001335.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001335

0 1
 O  -0.3424000       1.835300     -0.5492000    
 O    2.416500      0.7453000      0.7861000    
 O   -2.799600      0.4644000      0.1650000    
 N   0.2299000      -1.634700      2.1000000E-02
 C  -0.6867000     -0.5435000     -0.3102000    
 C   0.1038000      0.6771000      0.1374000    
 C    1.538700      0.3328000     -0.2519000    
 C    1.556200      -1.185800     -0.4105000    
 C   -2.016500     -0.6909000      0.4122000    
 H  -0.8700000     -0.4948000      -1.392600    
 H   1.4400000E-02  0.8623000       1.215300    
 H    1.851000      0.8328000      -1.174900    
 H    1.695000      -1.444600      -1.466700    
 H    2.342200      -1.674300      0.1729000    
 H  -3.6100000E-02  -2.494300     -0.4559000    
 H   -1.877800     -0.7876000       1.494900    
 H   -2.560500      -1.570300      5.1399998E-02
 H   -1.274500       1.976500     -0.3114000    
 H    2.184600      0.2535000       1.592400    
 H   -3.642900      0.3447000      0.6341000    


%chk=000001335-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000001335

0 1
O -0.148592 1.672392 -1.234345
O 1.995631 0.286936 1.384992
O -2.803912 0.387416 0.323201
N 0.343674 -1.599699 -0.044930
C -0.714332 -0.573818 -0.266487
C 0.054051 0.780480 -0.090223
C 1.554731 0.377712 -0.014688
C 1.576344 -1.021930 -0.662840
C -1.893218 -0.714802 0.694849
H -1.107606 -0.590755 -1.310132
H -0.236635 1.284611 0.851359
H 2.198784 1.124935 -0.497949
H 1.513495 -0.934718 -1.771515
H 2.473556 -1.599767 -0.387164
H 0.099695 -2.547202 -0.360000
H -1.541724 -0.615771 1.742675
H -2.397199 -1.697341 0.573824
H -1.115195 1.891578 -1.267991
H 1.546238 -0.522649 1.752656
H -3.572488 0.416293 0.944110


