%chk=000096796.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096796

0 1
 O   -1.331900       1.166700       1.135100    
 O    2.150300      -1.690900     -0.3077000    
 O    3.597500     -0.1173000      0.4298000    
 N   4.5200001E-02 -0.1202000     -0.2176000    
 N   -3.325000     -0.7190000      0.8558000    
 C    1.288200      0.5301000      0.1272000    
 C   -2.322100     -0.6008000     -0.1996000    
 C   -1.176800      0.2576000      0.3224000    
 C    1.551600       1.697700     -0.8116000    
 C   -2.935500      3.5100002E-02  -1.441000    
 C    2.458600     -0.4389000      0.1073000    
 H    1.200900      0.8972000       1.156600    
 H   -1.953100      -1.604200     -0.4389000    
 H   7.4699998E-02 -0.8686000     -0.9041000    
 H    1.652200       1.355600      -1.848200    
 H   0.7320000       2.423600     -0.7789000    
 H    2.477000       2.218900     -0.5442000    
 H   -2.190500      0.1179000      -2.240100    
 H   -3.304500       1.046800      -1.235900    
 H   -3.770400     -0.5634000      -1.821000    
 H   -4.098900      -1.295600      0.5266000    
 H   -3.727700      0.1966000       1.054800    
 H    2.934600      -2.280000     -0.3105000    


%chk=000096796-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096796

0 1
O -1.319693 1.234353 0.984338
O 2.217788 -1.645933 -0.561203
O 3.654566 -0.100876 0.413965
N 0.040331 -0.252195 -0.167162
N -3.420505 -0.551304 0.853047
C 1.270621 0.475567 0.176064
C -2.405350 -0.632903 -0.204091
C -1.189294 0.190379 0.268738
C 1.467946 1.755858 -0.685374
C -2.876421 -0.085561 -1.588413
C 2.502702 -0.412941 0.054675
H 1.195747 0.798399 1.232923
H -2.088269 -1.688576 -0.341045
H 0.133059 -1.136660 -0.671274
H 1.534092 1.501220 -1.757534
H 0.605179 2.421549 -0.523527
H 2.389790 2.279711 -0.381411
H -2.096832 -0.197785 -2.365939
H -3.138647 0.984243 -1.503185
H -3.772852 -0.640056 -1.922548
H -4.369120 -0.794380 0.558327
H -3.359311 0.327296 1.380960
H 3.050876 -2.184503 -0.634030


