%chk=000052375.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052375

0 1
 O    3.694300      2.8200001E-02 -0.3697000    
 O   -1.438900       1.906500      -1.072900    
 O   -5.288600      -1.174600     -0.8829000    
 O   -4.180000      -1.835600      0.9983000    
 N  -0.2205000       1.327800      0.8199000    
 C    2.007900       1.717200     -0.1692000    
 C    2.621400      0.4683000      0.4523000    
 C    4.310900      -1.138500      0.1579000    
 C   0.8546000       2.279400      0.6513000    
 C    3.279800      -2.253200      0.2465000    
 C    5.488800      -1.524700     -0.7237000    
 C   -1.280400       1.225500     -6.4999998E-02
 C   -2.242600      0.1643000      0.3440000    
 C   -3.329800     -6.8700001E-02 -0.4010000    
 C   -4.276700      -1.122000      1.4200000E-02
 H    2.783700       2.484000     -0.2848000    
 H    1.667800       1.480400      -1.185500    
 H    2.991100      0.6903000       1.460100    
 H    1.837100     -0.2900000      0.5130000    
 H    4.700400     -0.9176000       1.159700    
 H    1.199000       2.559100       1.652600    
 H   0.4615000       3.179900      0.1669000    
 H    3.768500      -3.223600      0.3881000    
 H    2.609600      -2.124900       1.102700    
 H    2.664600      -2.307000     -0.6584000    
 H    6.008400      -2.405500     -0.3346000    
 H    6.203800     -0.6974000     -0.7885000    
 H    5.157700      -1.735000      -1.746700    
 H  -0.1763000      0.7144000       1.628600    
 H   -2.034300     -0.3994000       1.247400    
 H   -3.548000      0.4885000      -1.305500    
 H   -5.949100      -1.862200     -0.6519000    


%chk=000052375-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052375

0 1
O 3.707920 -0.170557 -0.413444
O -1.652124 2.116247 -0.956686
O -5.895717 -0.678754 -0.825592
O -4.695598 -1.684077 0.898345
N -0.365280 1.180133 0.754003
C 1.938400 1.454538 -0.258383
C 2.624507 0.285351 0.459207
C 4.618838 -1.166893 0.199648
C 0.781323 2.084380 0.552950
C 3.927723 -2.531334 0.397812
C 5.821290 -1.248704 -0.748331
C -1.509856 1.257842 -0.030448
C -2.558318 0.247068 0.318409
C -3.738427 0.192035 -0.356064
C -4.768206 -0.811716 -0.002761
H 2.695581 2.235915 -0.458861
H 1.559325 1.111273 -1.237547
H 3.037197 0.615501 1.442386
H 1.899877 -0.538221 0.648091
H 4.948440 -0.773701 1.189992
H 1.144327 2.421840 1.543535
H 0.392825 2.962527 0.009604
H 4.647135 -3.269275 0.798387
H 3.082410 -2.469353 1.106773
H 3.545886 -2.905667 -0.569005
H 6.581927 -1.946532 -0.354391
H 6.281180 -0.253514 -0.871957
H 5.497177 -1.604371 -1.742532
H -0.310105 0.461330 1.477524
H -2.375845 -0.467095 1.134141
H -3.946205 0.890568 -1.172743
H -6.571909 -1.362882 -0.568860


