%chk=000025336.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025336

0 1
 O    3.883800     -0.7210000       1.143700    
 O   -3.279100      -1.603500      0.7961000    
 O   -1.520100       1.368900       1.254900    
 O  -0.3969000       2.522400     -0.2469000    
 O    3.649400     -0.3483000      -1.089300    
 O   -3.075200     -0.4689000      -1.161800    
 N  -0.5269000      0.2878000     -0.4562000    
 N  -0.8236000       1.467400      0.2376000    
 C   0.8673000      0.1006000     -0.8377000    
 C    1.709500     -0.2497000      0.3854000    
 C   -1.088700     -0.9409000      0.1192000    
 C    3.163600     -0.4360000      2.8300000E-02
 C   -2.563200     -0.9787000     -0.1731000    
 H   0.9423000     -0.6997000      -1.586000    
 H    1.267600      0.9909000      -1.339800    
 H    1.381200      -1.189100      0.8434000    
 H    1.655100      0.5508000       1.132500    
 H  -0.9080000      -1.027100       1.197500    
 H  -0.6782000      -1.837300     -0.3633000    
 H    4.835600     -0.8471000      0.9421000    
 H   -4.240000      -1.602900      0.5990000    


%chk=000025336-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000025336

0 1
O 4.424191 -0.289992 0.289903
O -3.434806 -1.897828 -0.319684
O -1.939092 1.675238 1.398406
O 0.095418 2.361443 0.571290
O 3.129993 -1.190985 -1.415478
O -2.327042 -0.304693 -1.613061
N -0.462892 0.127501 0.509990
N -0.794265 1.465625 0.838458
C 0.729028 -0.088041 -0.333919
C 2.044212 -0.011729 0.469561
C -1.513210 -0.870916 0.667896
C 3.204298 -0.559699 -0.337368
C -2.436543 -0.953577 -0.556650
H 0.624598 -1.082911 -0.798106
H 0.735644 0.653857 -1.151262
H 1.968577 -0.602124 1.403208
H 2.261010 1.026756 0.771047
H -2.125252 -0.630021 1.552271
H -1.052366 -1.859869 0.834674
H 5.168103 -0.672163 -0.251016
H -4.044102 -1.957270 -1.104560


