%chk=000081278.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081278

0 1
 O   -1.958300       2.030100      8.7899998E-02
 N  -0.8485000     -4.3800000E-02 -6.5000001E-03
 C   0.5375000      0.3722000      1.1000000E-02
 C    1.225300     -0.1772000       1.263200    
 C    1.230400     -0.1130000      -1.264100    
 C    2.715800      0.1538000       1.273500    
 C    2.721200      0.2161000      -1.251200    
 C    3.406500     -0.3261000       0.000000    
 C   -1.220700      -1.427000     -0.1867000    
 C   -2.682300      -1.444900      0.2139000    
 C   -1.948200      0.8108000      9.8000001E-03
 C   -3.178700     -5.0900001E-02 -0.1508000    
 H   0.5702000       1.468500      4.1400000E-02
 H    1.120600      -1.265900       1.331700    
 H   0.7511000      0.2355000       2.162200    
 H   0.7606000      0.3412000      -2.145100    
 H    1.128800      -1.199000      -1.380800    
 H    3.190500     -0.3070000       2.147000    
 H    2.847400       1.238300       1.373600    
 H    2.854300       1.304000      -1.297300    
 H    3.199500     -0.2019000      -2.144200    
 H    4.456600     -1.3300000E-02  9.9999998E-03
 H    3.399800      -1.422800     -2.7000001E-02
 H  -0.6295000      -2.106000      0.4306000    
 H   -1.108700      -1.689100      -1.243900    
 H   -2.767600      -1.588500       1.298400    
 H   -3.249000      -2.241400     -0.2761000    
 H   -3.980600      0.2821000      0.5124000    
 H   -3.507600     -3.3000000E-03  -1.193600    


%chk=000081278-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000081278

0 1
O -1.754647 2.051079 0.075519
N -0.870051 -0.137863 -0.017808
C 0.552276 0.256216 -0.002240
C 1.279922 -0.250963 1.269627
C 1.295792 -0.197079 -1.284847
C 2.755370 0.218332 1.286963
C 2.770573 0.273812 -1.263914
C 3.503747 -0.221018 0.005842
C -1.340805 -1.528433 -0.187236
C -2.847094 -1.443723 0.194433
C -1.903143 0.796178 0.001337
C -3.230164 0.026526 -0.109438
H 0.534806 1.364985 0.023431
H 1.253203 -1.360448 1.297393
H 0.745114 0.114167 2.166400
H 0.773863 0.202887 -2.175080
H 1.271248 -1.304593 -1.357169
H 3.265378 -0.178145 2.185975
H 2.784352 1.324649 1.364561
H 2.799271 1.382458 -1.291943
H 3.291936 -0.082424 -2.173232
H 4.542143 0.162533 0.020144
H 3.570906 -1.328780 -0.018059
H -0.780550 -2.222211 0.465105
H -1.206727 -1.865845 -1.236002
H -2.967779 -1.647182 1.273119
H -3.454072 -2.176906 -0.361972
H -3.974401 0.449194 0.584292
H -3.624066 0.154096 -1.135900


