%chk=000118082.chk
%nprocshared=8
%mem=61GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118082

0 1
 O   0.7746000       1.783900     -8.5299999E-02
 O    3.107300      0.7763000     -0.5200000    
 O    3.477000      -1.106500      0.7755000    
 N   -1.001600      0.2565000     -0.1113000    
 N  -0.5249000      -2.068900      9.3000000E-03
 C   -2.001400       1.342800     -8.2599998E-02
 C   -3.345200      0.9270000     -0.6791000    
 C   -3.832000     -0.3588000     -3.9900001E-02
 C   -2.825600      -1.461500     -0.2866000    
 C   -1.367000      -1.085000     -9.0400003E-02
 C   -2.162200       1.876800       1.348400    
 C   0.3498000      0.6307000     -5.5399999E-02
 C    1.296900     -0.5043000      6.6799998E-02
 C   0.7987000      -1.744200      0.1028000    
 C    2.748500     -0.3391000      0.1652000    
 C    4.507200       1.074300     -0.5175000    
 H   -1.611900       2.169400     -0.6910000    
 H   -3.233400      0.7746000      -1.760300    
 H   -4.089000       1.720900     -0.5457000    
 H   -4.802400     -0.6436000     -0.4622000    
 H   -3.987100     -0.2236000       1.035900    
 H   -2.916900      -1.809000      -1.324200    
 H   -3.057000      -2.323600      0.3503000    
 H   -2.435000       1.084200       2.052400    
 H   -1.225000       2.313900       1.709600    
 H   -2.928600       2.657600       1.391300    
 H    1.455300      -2.604500      0.1936000    
 H    4.855900       1.245500      0.5054000    
 H    4.661400       1.987300      -1.098600    
 H    5.068500      0.2602000     -0.9861000    


%chk=000118082-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000118082

0 1
O 0.592502 1.870292 -0.283848
O 3.210839 0.970404 -0.180081
O 3.562607 -1.326864 -0.105839
N -1.064173 0.208086 -0.132590
N -0.543101 -2.123385 0.021565
C -2.059701 1.344397 -0.159467
C -3.419752 0.860705 -0.697494
C -3.914852 -0.380369 0.071844
C -2.899506 -1.525656 -0.099058
C -1.438706 -1.114922 -0.051058
C -2.139478 1.992261 1.242914
C 0.351041 0.636362 -0.181714
C 1.287970 -0.483538 -0.106681
C 0.787501 -1.788244 -0.001839
C 2.770912 -0.345205 -0.131886
C 4.684152 1.139470 -0.205830
H -1.618162 2.088949 -0.845318
H -3.328683 0.617454 -1.774583
H -4.140847 1.693653 -0.611767
H -4.903535 -0.702526 -0.300425
H -4.044082 -0.135109 1.142204
H -3.042666 -2.019811 -1.081302
H -3.035285 -2.323001 0.652091
H -2.513694 1.284625 2.003380
H -1.145317 2.352963 1.552226
H -2.821676 2.860623 1.209327
H 1.499821 -2.617194 0.063041
H 5.136887 0.699704 0.698937
H 4.833244 2.227337 -0.239929
H 5.110641 0.647840 -1.096521


