%chk=000085431.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085431

0 1
 O   -2.790900     -0.6475000      0.2081000    
 O    2.790700      0.6475000      0.2075000    
 O   -1.901500       1.442000     -0.1393000    
 O    1.901600      -1.442200     -0.1392000    
 N  -0.5800000     -0.3646000      0.4593000    
 N   0.5800000      0.3645000      0.4589000    
 C   -4.093900     -0.1363000     -9.4400004E-02
 C    4.093900      0.1363000     -9.4300002E-02
 C   -4.079800      0.4198000      -1.517600    
 C   -5.081000      -1.295900      1.9700000E-02
 C   -4.433100      0.9593000      0.9154000    
 C    4.080400     -0.4204000      -1.517200    
 C    5.080800       1.296200      1.9600000E-02
 C    4.432900     -0.9587000      0.9160000    
 C   -1.768200      0.2566000      0.1489000    
 C    1.768100     -0.2567000      0.1485000    
 H   -3.601500       1.397000      -1.619900    
 H   -5.104200      0.5547000      -1.885000    
 H   -3.566100     -0.2655000      -2.201900    
 H   -5.057400      -1.728200       1.026600    
 H   -4.812000      -2.103900     -0.6703000    
 H   -6.106900     -0.9817000     -0.1981000    
 H   -4.180600      0.6443000       1.934500    
 H   -5.506100       1.183800      0.8898000    
 H   -3.928500       1.912500      0.7397000    
 H    3.567000      0.2644000      -2.202100    
 H    5.105000     -0.5555000      -1.884100    
 H    3.602100      -1.397800      -1.619200    
 H    5.056800       1.729100       1.026200    
 H    4.812000       2.103800     -0.6710000    
 H    6.106800      0.9820000     -0.1977000    
 H    3.928500      -1.912100      0.7406000    
 H    5.506000      -1.183100      0.8910000    
 H    4.180000     -0.6433000       1.934900    
 H  -0.5196000      -1.347500      0.7031000    
 H   0.5198000       1.347400      0.7024000    


%chk=000085431-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000085431

0 1
O -2.844660 -0.563961 -0.070586
O 2.844741 0.564011 -0.070195
O -1.831832 1.604340 -0.072119
O 1.831908 -1.604286 -0.071529
N -0.601170 -0.361625 -0.067644
N 0.601252 0.361688 -0.067520
C -4.283478 -0.050802 -0.071787
C 4.283543 0.050818 -0.071315
C -4.529663 0.762265 -1.357909
C -5.082849 -1.364363 -0.066704
C -4.529898 0.771886 1.208243
C 4.529543 -0.762815 -1.357113
C 5.082951 1.364361 -0.066893
C 4.530083 -0.771326 1.209042
C -1.786621 0.338383 -0.070471
C 1.786697 -0.338330 -0.069869
H -3.921663 1.680698 -1.367099
H -5.597185 1.043337 -1.415341
H -4.284584 0.157964 -2.249292
H -4.848545 -1.958991 0.832862
H -4.842399 -1.969013 -0.957917
H -6.165209 -1.144107 -0.071711
H -4.276551 0.177179 2.103806
H -5.599365 1.044979 1.267818
H -3.928691 1.694775 1.207334
H 4.284256 -0.158934 -2.248724
H 5.597072 -1.043841 -1.414618
H 3.921601 -1.681294 -1.365782
H 4.848717 1.959404 0.832415
H 4.842461 1.968612 -0.958367
H 6.165305 1.144075 -0.071868
H 3.928754 -1.694135 1.208653
H 5.599525 -1.044534 1.268547
H 4.276977 -0.176181 2.104381
H -0.504607 -1.379330 -0.065578
H 0.504684 1.379392 -0.065749


