%chk=000079731.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079731

0 1
 O   -2.057900      -1.867000      0.5075000    
 N   -3.319600     -0.3252000     -0.6696000    
 N   -5.143000       1.200500     -0.2966000    
 N   -3.487500      0.9728000       1.257800    
 C    2.883400     -0.3427000      0.1720000    
 C    1.596200      0.2259000     -0.4298000    
 C    4.134900      0.4559000     -0.2038000    
 C   0.3764000     -0.6024000     -1.1700000E-02
 C    5.418300     -9.6400000E-02  0.4179000    
 C  -0.9269000     -3.8100000E-02 -0.5750000    
 C    6.638500      0.6863000     -4.3099999E-02
 C   -2.148500     -0.8387000     -0.1588000    
 C   -3.964300      0.5692000      3.3300001E-02
 H    3.009300      -1.381600     -0.1575000    
 H    2.791200     -0.3665000       1.265000    
 H    1.675400      0.2392000      -1.523300    
 H    1.466100       1.263900     -0.1009000    
 H    4.003300       1.499300      0.1086000    
 H    4.235000      0.4635000      -1.296400    
 H   0.5045000      -1.638400     -0.3496000    
 H   0.3148000     -0.6354000       1.083500    
 H    5.541400      -1.149700      0.1406000    
 H    5.349200     -5.3700000E-02   1.510800    
 H   -1.052300      0.9972000     -0.2390000    
 H  -0.8834000     -3.7000000E-02  -1.670600    
 H    6.752300      0.6318000      -1.130500    
 H    6.559200       1.740100      0.2422000    
 H    7.545100      0.2778000      0.4140000    
 H   -5.569100       1.883500      0.3201000    
 H   -5.616900       1.000500      -1.170700    
 H   -2.638900      0.6033000       1.670900    
 H   -3.986400       1.667300       1.803800    


%chk=000079731-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000079731

0 1
O -2.097227 -0.596917 1.293951
N -3.172492 0.777974 -0.335013
N -5.459529 1.107098 -0.545017
N -4.689949 -0.320226 1.185441
C 3.080337 -0.139114 0.303093
C 1.819519 0.460129 -0.359874
C 4.398019 0.306793 -0.369751
C 0.506803 0.015449 0.321648
C 5.658879 -0.297139 0.290085
C -0.737631 0.618226 -0.353346
C 6.970852 0.156432 -0.386184
C -2.062051 0.207951 0.280946
C -4.416082 0.502649 0.123736
H 3.013351 -1.247100 0.280636
H 3.100786 0.147501 1.375481
H 1.798185 0.169113 -1.431658
H 1.890043 1.568565 -0.341631
H 4.467530 1.414832 -0.343287
H 4.376744 0.023543 -1.443300
H 0.430621 -1.089025 0.311074
H 0.520416 0.304019 1.390533
H 5.589401 -1.403916 0.261150
H 5.677549 -0.016096 1.363069
H -0.695095 1.726097 -0.348929
H -0.781450 0.337817 -1.425393
H 6.988629 -0.138215 -1.452703
H 7.079188 1.256873 -0.341905
H 7.856343 -0.290330 0.102802
H -6.435022 0.974569 -0.292447
H -5.206292 1.708042 -1.325885
H -3.835757 -0.728173 1.620968
H -5.634821 -0.512221 1.512807


