%chk=000097467.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097467

0 1
 O    1.995500     -0.5183000     -0.9521000    
 O    1.186100       2.261500       1.178300    
 O    3.376800       2.148800     -0.4259000    
 O    3.802200      -2.586600     -0.3861000    
 N  -0.2183000     -0.2742000     -0.1337000    
 N   -1.636100      -1.914600      0.3973000    
 N   -1.833700       1.501700     -0.5365000    
 N   -4.008100      0.8313000     -0.2313000    
 N   -3.083800       1.747600     -0.5357000    
 N   -4.659500      -1.385500      0.4168000    
 C    1.704100      0.9879000      0.8521000    
 C    1.046800      0.4098000     -0.3918000    
 C    3.160300       1.028900      0.4325000    
 C    3.299200     -0.2515000     -0.3851000    
 C    3.711100      -1.451300      0.4565000    
 C   -1.472200      0.2576000     -0.2123000    
 C  -0.3698000      -1.586300      0.2374000    
 C   -2.329900     -0.7665000      0.1181000    
 C   -3.670600     -0.4402000      0.1016000    
 H    1.574700      0.3249000       1.715500    
 H   0.8425000       1.176600      -1.149200    
 H    3.853100       1.113200       1.274500    
 H    3.989000     -0.1342000      -1.228600    
 H    2.979800      -1.676000       1.239100    
 H    4.687200      -1.288900      0.9229000    
 H    1.353900       2.855800      0.4272000    
 H    4.305400       2.118600     -0.7130000    
 H   0.4696000      -2.252900      0.3809000    
 H    2.930300      -2.718000     -0.7963000    
 H   -5.631900      -1.110200      0.3937000    
 H   -4.401900      -2.331500      0.6637000    


%chk=000097467-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097467

0 1
O 1.880355 -0.614019 -0.802883
O 1.346344 2.148800 1.599039
O 3.279281 2.263581 -0.208192
O 3.847284 -2.610642 -0.862246
N -0.271206 -0.249385 0.154557
N -1.813350 -1.706522 1.036881
N -1.795426 1.208046 -1.163998
N -4.110848 0.547185 -0.967471
N -3.133659 1.375969 -1.473094
N -4.852630 -1.278091 0.327092
C 1.809380 0.897032 1.060859
C 0.993483 0.386219 -0.165326
C 3.245757 0.959384 0.473421
C 3.304529 -0.231210 -0.510703
C 3.984873 -1.486144 0.056970
C -1.522493 0.159859 -0.330399
C -0.511668 -1.372108 0.963777
C -2.455643 -0.746476 0.231822
C -3.811146 -0.516848 -0.117698
H 1.756302 0.162574 1.882804
H 0.771544 1.218437 -0.860304
H 4.024889 0.904376 1.257919
H 3.770422 0.056371 -1.471664
H 3.556123 -1.727477 1.055433
H 5.071525 -1.323683 0.165675
H 1.696461 2.868340 1.005362
H 4.191970 2.485443 -0.512564
H 0.291483 -1.919535 1.450721
H 2.889547 -2.674230 -1.117361
H -5.795928 -1.040915 0.023709
H -4.685755 -2.066831 0.948364


