%chk=000114468.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114468

0 1
 O   -2.149600      -2.406600      0.6681000    
 N  -0.3107000     -9.5100001E-02 -0.7336000    
 N   -2.523900     -0.2851000       1.389200    
 C   -1.633000     -0.6865000     -0.9046000    
 C   -2.636100      0.2076000      -1.638800    
 C   -2.767900       1.645300      -1.140500    
 C   -3.340000       1.769000      0.2669000    
 C   -2.441500       1.162800       1.331800    
 C   -2.119400      -1.192500      0.4417000    
 C   0.6249000      -1.078000     -0.2143000    
 C    1.970600     -0.4354000     -5.6699999E-02
 C    2.875500     -0.4627000      -1.112500    
 C    2.302800      0.1834000       1.144000    
 C    4.127200      0.1353000     -0.9661000    
 C    3.554400      0.7813000       1.290300    
 C    4.466600      0.7572000      0.2352000    
 H   -1.531200      -1.579300      -1.539800    
 H   -3.626100     -0.2663000      -1.617900    
 H   -2.340900      0.2548000      -2.695700    
 H   -3.435600       2.182500      -1.826100    
 H   -1.800700       2.158700      -1.197400    
 H   -3.463200       2.836900      0.4853000    
 H   -4.339300       1.318900      0.3066000    
 H   -1.396300       1.457700       1.197600    
 H   -2.758600       1.522800       2.316900    
 H   1.7100001E-02  0.2519000      -1.635300    
 H   -2.850300     -0.6780000       2.267000    
 H   0.7088000      -1.941800     -0.8867000    
 H   0.3296000      -1.471100      0.7654000    
 H    2.621600     -0.9427000      -2.053700    
 H    1.599700      0.2107000       1.972100    
 H    4.837200      0.1170000      -1.787700    
 H    3.818600       1.266500       2.225500    
 H    5.441000       1.223200      0.3491000    


%chk=000114468-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114468

0 1
O -2.551923 -2.584977 0.293876
N -0.403376 -0.084514 -0.774975
N -2.510912 -0.551060 1.386985
C -1.743408 -0.673600 -1.012127
C -2.714131 0.378667 -1.616276
C -2.774556 1.752584 -0.904231
C -3.268651 1.720777 0.560680
C -2.351202 0.912762 1.508890
C -2.296091 -1.337783 0.272737
C 0.660752 -1.071174 -0.467940
C 2.005427 -0.396344 -0.228046
C 3.195361 -0.960609 -0.751851
C 2.095945 0.791054 0.543609
C 4.451203 -0.359712 -0.504275
C 3.348061 1.396828 0.788047
C 4.531647 0.822526 0.266606
H -1.697712 -1.528070 -1.728363
H -3.724904 -0.072284 -1.654533
H -2.409300 0.547106 -2.669896
H -3.441524 2.413235 -1.493149
H -1.770451 2.219994 -0.924015
H -3.316455 2.763053 0.935097
H -4.296454 1.309656 0.614011
H -1.297446 1.183955 1.310680
H -2.584483 1.169901 2.558070
H -0.124860 0.537685 -1.547093
H -2.880643 -1.065489 2.191251
H 0.770069 -1.845008 -1.265951
H 0.348851 -1.619254 0.444012
H 3.138578 -1.874894 -1.355836
H 1.175108 1.231603 0.941268
H 5.361954 -0.809638 -0.915667
H 3.403372 2.313559 1.386642
H 5.503455 1.291869 0.457062


