%chk=000066347.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066347

0 1
 O    2.026000       2.379700      0.2205000    
 O    3.463600      -1.388800     -0.6880000    
 O   -1.986100       2.379000     -0.2213000    
 O   -3.495900      -1.396000      0.6703000    
 N    1.850300      4.0300000E-02  0.2633000    
 N   -1.838700      3.7400000E-02 -0.2557000    
 C   0.4336000      3.3900000E-02  0.6399000    
 C  -0.4439000      3.3799998E-02 -0.6032000    
 C    2.539700       1.265600      8.2000002E-02
 C    2.521600      -1.194500      8.2800001E-02
 C   -2.528600       1.278300     -8.5000001E-02
 C   -2.538200      -1.198600     -8.0200002E-02
 C    3.993400       1.180800     -0.3121000    
 C    2.049100      -2.342200      0.9489000    
 C   -3.989500       1.230600      0.2885000    
 C   -2.056300      -2.339200     -0.9505000    
 H   0.1844000     -0.8185000       1.275800    
 H   0.2303000      0.9331000       1.234000    
 H  -0.2263000      0.9276000      -1.201200    
 H  -0.1831000     -0.8178000      -1.236300    
 H    4.089900      0.8440000      -1.347100    
 H    4.434100       2.181800     -0.2496000    
 H    4.554200      0.5421000      0.3750000    
 H    1.908900      -2.014200       1.982300    
 H    2.809500      -3.129500      0.9496000    
 H    1.122700      -2.758400      0.5467000    
 H   -4.105300      0.8897000       1.320000    
 H   -4.408000       2.240300      0.2203000    
 H   -4.550000      0.5986000     -0.4047000    
 H   -1.903600      -2.003000      -1.979600    
 H   -2.817100      -3.126000     -0.9666000    
 H   -1.135200      -2.759900     -0.5408000    


%chk=000066347-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000066347

0 1
O 1.936480 2.109423 -0.740215
O 3.591389 -1.607504 0.118582
O -1.919784 2.126115 0.733641
O -3.598665 -1.582712 -0.113981
N 1.886852 0.012734 0.247721
N -1.884522 0.026924 -0.249760
C 0.478688 0.351046 0.614544
C -0.474305 0.354832 -0.617621
C 2.590699 1.074870 -0.433563
C 2.454231 -1.262570 0.543395
C -2.580934 1.095224 0.429594
C -2.460205 -1.245656 -0.541455
C 4.069178 0.948612 -0.730398
C 1.637739 -2.215355 1.416045
C -4.060152 0.979459 0.726970
C -1.651320 -2.204744 -1.414247
H 0.121430 -0.374654 1.358681
H 0.460871 1.353690 1.067284
H -0.449219 1.357469 -1.069894
H -0.122720 -0.373006 -1.362373
H 4.257461 0.174936 -1.493469
H 4.412658 1.929434 -1.093951
H 4.645400 0.638202 0.156496
H 1.416974 -1.779482 2.407056
H 2.243233 -3.122908 1.553897
H 0.677416 -2.501278 0.950725
H -4.253535 0.208499 1.491449
H -4.397092 1.963308 1.088462
H -4.638541 0.671307 -0.159353
H -1.429253 -1.771337 -2.406028
H -2.262830 -3.108553 -1.550128
H -0.692125 -2.496325 -0.950105


