%chk=000076822.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076822

0 1
 O    3.478100     -0.9106000      0.2399000    
 O   -3.477600     -0.9109000     -0.2414000    
 N    1.431500      0.2277000      0.2025000    
 N   -1.431200      0.2275000     -0.2024000    
 C   0.7249000     -0.9782000     -0.2469000    
 C   0.7251000       1.433600     -0.2471000    
 C  -0.7252000     -0.9777000      0.2493000    
 C  -0.7253000       1.433400      0.2479000    
 C    2.813300      0.2275000     -0.2737000    
 C   -2.813600      0.2277000      0.2719000    
 H    1.208400      -1.878800      0.1498000    
 H   0.7395000      -1.055400      -1.342700    
 H   0.7411000       1.510900      -1.342800    
 H    1.224600       2.325500      0.1502000    
 H   -1.208700      -1.878900     -0.1460000    
 H  -0.7400000      -1.053200       1.345200    
 H  -0.7416000       1.510700       1.343600    
 H   -1.224900       2.325400     -0.1494000    
 H    3.342600       1.113800      9.2200004E-02
 H    2.872000      0.2085000      -1.368300    
 H   -3.342400       1.113600     -9.5700003E-02
 H   -2.873900      0.2099000       1.366300    
 H    4.394000     -0.8795000     -8.4899999E-02
 H   -4.394000     -0.8796000      8.2000002E-02


%chk=000076822-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000076822

0 1
O 3.502407 -0.577986 0.700789
O -3.502697 -0.578509 -0.700327
N 1.418646 0.240751 -0.065434
N -1.418926 0.240786 0.065222
C 0.673070 -0.996065 -0.371262
C 0.670577 1.470999 -0.381649
C -0.673343 -0.995849 0.371789
C -0.670855 1.471203 0.380810
C 2.827101 0.211720 -0.358533
C -2.827368 0.211908 0.358441
H 1.281377 -1.855468 -0.040039
H 0.476234 -1.091205 -1.467428
H 0.449047 1.562062 -1.473264
H 1.270286 2.346961 -0.070812
H -1.281646 -1.855450 0.041076
H -0.476512 -1.090328 1.468014
H -0.449339 1.562823 1.472382
H -1.270559 2.347006 0.069519
H 3.203545 1.254914 -0.362238
H 3.064751 -0.259514 -1.349333
H -3.203837 1.255096 0.361498
H -3.064932 -0.258696 1.349562
H 4.339425 -0.962031 0.330672
H -4.339752 -0.962228 -0.329955


