%chk=000081839.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081839

0 1
 O    2.315200     -0.9924000       2.138800    
 O   -2.609000       2.742400       1.221500    
 O   -2.734900      -2.864200      0.4671000    
 O   -2.106800       2.547700     -0.9858000    
 O   -2.486900      -1.946500      -1.596500    
 N  -0.9946000      1.6700000E-02 -1.2300000E-02
 C   6.0199998E-02 -0.9146000      0.3863000    
 C    1.422400     -0.4247000     -1.1900000E-02
 C  -0.7900000       1.320600      0.6174000    
 C   -2.309300     -0.5196000      0.3381000    
 C    2.483600     -0.4879000      0.8844000    
 C    1.605100      9.2200004E-02  -1.290100    
 C   -1.893600       2.244000      0.1811000    
 C   -2.501500      -1.828000     -0.3778000    
 C    3.742800     -2.8600000E-02  0.4982000    
 C    2.864300      0.5516000      -1.676200    
 C    3.933100      0.4913000     -0.7822000    
 H  -5.2600000E-02  -1.890100     -0.1027000    
 H   2.7999999E-03  -1.098600       1.466700    
 H   0.1435000       1.814300      0.3281000    
 H  -0.7914000       1.242000       1.712400    
 H   -3.141700      0.1151000      1.4800000E-02
 H   -2.412000     -0.6695000       1.420400    
 H   0.7917000      0.1354000      -2.009200    
 H    4.584500     -6.9700003E-02   1.184400    
 H    3.013500      0.9531000      -2.674300    
 H    4.913700      0.8482000      -1.083300    
 H    3.163200     -0.9531000       2.613300    
 H   -3.313100       3.355700      0.9207000    
 H   -2.874900      -3.706200     -1.6500000E-02


%chk=000081839-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000081839

0 1
O 2.560948 -0.573514 2.302287
O -1.713700 3.444671 0.857640
O -3.612250 -2.648435 -0.494627
O -2.769803 1.971837 -0.592897
O -1.597463 -2.223605 -1.569857
N -1.011070 -0.162853 0.367381
C 0.177959 -0.968742 0.762595
C 1.460254 -0.413855 0.156310
C -1.020492 1.160761 0.996153
C -2.282574 -0.888066 0.428517
C 2.635295 -0.237687 0.930827
C 1.512880 -0.089864 -1.220948
C -1.927896 2.171437 0.307407
C -2.400562 -1.954624 -0.654523
C 3.828840 0.255382 0.349956
C 2.695989 0.401451 -1.815156
C 3.856537 0.573972 -1.024876
H 0.019500 -1.990603 0.373885
H 0.284515 -1.043805 1.867470
H 0.005667 1.569872 0.961474
H -1.306229 1.151216 2.079955
H -3.112736 -0.181822 0.249804
H -2.484612 -1.385068 1.410045
H 0.596941 -0.226691 -1.806026
H 4.728904 0.387681 0.965427
H 2.715366 0.644038 -2.882696
H 4.781148 0.954121 -1.473193
H 3.425499 -0.396742 2.748977
H -2.320166 4.098697 0.415357
H -3.699389 -3.322560 -1.221766


