%chk=000124904.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124904

0 1
 O   -5.314400     -0.6799000      0.1761000    
 O   -3.313600      -1.752800      0.1807000    
 N    4.119500     -0.5473000     -1.9099999E-02
 N    2.314700      0.7105000     -0.1435000    
 N    2.752800     -0.4532000     -1.2900000E-02
 C   -1.873100      0.6797000     -8.1799999E-02
 C   -3.364200      0.6701000     -5.9599999E-02
 C   -1.159200      0.8249000       1.107600    
 C   -1.192400      0.5443000      -1.291800    
 C   0.9163000      0.6994000     -0.1229000    
 C   0.2355000      0.8349000       1.087100    
 C   0.2023000      0.5541000      -1.312400    
 C   -3.957200     -0.7149000      0.1101000    
 C    4.977100      0.5222000      0.4618000    
 C    4.655900      -1.891900     -7.9400003E-02
 H   -3.754200       1.096100     -0.9920000    
 H   -3.726900       1.300400      0.7614000    
 H   -1.677500      0.9296000       2.057100    
 H   -1.737000      0.4287000      -2.225200    
 H   0.7829000      0.9492000       2.019100    
 H   0.7236000      0.4485000      -2.260300    
 H    5.979800      0.3943000      4.3800000E-02
 H    5.024900      0.4700000       1.552800    
 H    4.601200       1.500000      0.1505000    
 H    3.959900      -2.547800     -0.6108000    
 H    4.806900      -2.260300      0.9389000    
 H    5.608100      -1.877300     -0.6167000    
 H   -5.697800      -1.576200      0.2854000    


%chk=000124904-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000124904

0 1
O -4.761621 -0.436031 1.179084
O -4.315444 -1.482047 -0.846343
N 4.243629 -0.541417 -0.012526
N 2.239123 0.304059 0.502316
N 2.917583 -0.485565 -0.309463
C -1.966609 0.657693 -0.214123
C -3.472372 0.813061 -0.438848
C -1.316082 1.353788 0.833226
C -1.195379 -0.194210 -1.049762
C 0.841987 0.365291 0.197433
C 0.071870 1.211909 1.036840
C 0.189009 -0.342462 -0.853775
C -4.207918 -0.477373 -0.109658
C 4.827407 0.211882 1.109185
C 5.061794 -1.402173 -0.868747
H -3.678514 1.042200 -1.499610
H -3.872131 1.626298 0.186738
H -1.897619 2.007666 1.493616
H -1.693736 -0.750694 -1.852626
H 0.584160 1.748726 1.842133
H 0.778467 -0.998399 -1.501299
H 5.909109 0.007033 1.144564
H 4.352651 -0.083652 2.062876
H 4.649034 1.295405 0.981988
H 4.400836 -1.847247 -1.627773
H 5.537853 -2.212782 -0.284274
H 5.856369 -0.822591 -1.376531
H -5.189556 -1.313068 1.379359


