%chk=000040034.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040034

0 1
 O   -1.778700       1.638800     -0.3570000    
 O   -2.677600     -0.9117000      0.2860000    
 N    3.759800     -0.8833000      0.1251000    
 N    3.244400       1.335100     -0.3986000    
 C    1.392600     -0.1434000      1.2000001E-03
 C  -0.8928000      0.6287000     -0.1323000    
 C   -1.344000     -0.6512000      0.1901000    
 C   0.4754000      0.8826000     -0.2267000    
 C   0.9414000      -1.423300      0.3236000    
 C  -0.4269000      -1.677200      0.4182000    
 C    2.819200      0.1209000     -9.7199999E-02
 C   -2.170700       2.419900      0.7702000    
 C   -3.342200      -1.335900     -0.9026000    
 H   0.8003000       1.888600     -0.4804000    
 H    1.610200      -2.256100      0.5108000    
 H  -0.7721000      -2.676300      0.6707000    
 H   -1.303300       2.925000       1.206900    
 H   -2.659000       1.792700       1.522800    
 H   -2.882600       3.177400      0.4311000    
 H   -2.917400      -2.277700      -1.264000    
 H   -3.270200     -0.5682000      -1.679500    
 H   -4.397600      -1.496100     -0.6663000    
 H    4.751200     -0.6787000      5.3300001E-02
 H    3.521200      -1.838500      0.3605000    
 H    4.270100       1.321400     -0.4187000    


%chk=000040034-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040034

0 1
O -1.714439 1.551529 -0.556982
O -2.609005 -1.049219 0.451507
N 3.861887 -0.937472 -0.158629
N 3.346780 1.429270 -0.156846
C 1.539158 -0.174012 0.064320
C -0.796773 0.542745 -0.172781
C -1.242454 -0.729607 0.298534
C 0.578559 0.801754 -0.300110
C 1.091976 -1.416486 0.586014
C -0.287893 -1.689831 0.695674
C 2.993091 0.159564 -0.093747
C -2.494055 2.117654 0.568830
C -3.416361 -0.990864 -0.791147
H 0.922385 1.774283 -0.663529
H 1.808295 -2.164567 0.944194
H -0.650682 -2.645014 1.088305
H -1.816108 2.622727 1.282324
H -3.067823 1.329332 1.090118
H -3.174955 2.853158 0.114088
H -3.076713 -1.772722 -1.496554
H -3.340804 0.002515 -1.267071
H -4.450571 -1.195003 -0.475044
H 4.866966 -0.789226 -0.218373
H 3.511800 -1.884450 -0.283626
H 4.368440 1.567441 -0.302267


