%chk=000078566.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078566

0 1
 O   0.3381000       1.721700      -1.060800    
 O    2.087100      -2.344500      0.3777000    
 N   -1.100700     -8.9999996E-03 -0.4766000    
 N    1.264900     -0.2855000     -0.3663000    
 N   -2.551800      -1.863200      0.1517000    
 C   0.1740000      0.5625000     -0.6651000    
 C   -1.298100      -1.318700     -2.4599999E-02
 C   -2.279600      0.8103000     -0.7690000    
 C    2.600800      0.2724000     -0.5507000    
 C    1.154500      -1.594400      9.7000003E-02
 C  -0.2276000      -2.082200      0.2520000    
 C   -2.681700       1.544500      0.4667000    
 C    3.033600      0.9306000      0.7171000    
 C   -3.884600       1.433400       1.041800    
 C    3.371100       2.221900      0.8092000    
 H   -2.016100       1.554500      -1.530400    
 H   -3.083400      0.2158000      -1.215000    
 H    3.305400     -0.5312000     -0.7926000    
 H    2.603600      0.9720000      -1.394200    
 H  -0.3386000      -3.103300      0.6064000    
 H   -1.956400       2.219500      0.9143000    
 H    3.094500      0.3162000       1.612000    
 H   -3.384600      -1.303500      4.1600000E-02
 H   -2.641300      -2.814800      0.4874000    
 H   -4.119900       1.999400       1.936400    
 H   -4.650600      0.7829000      0.6345000    
 H    3.686700       2.640700       1.758500    
 H    3.338000       2.880000     -5.2000001E-02


%chk=000078566-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000078566

0 1
O 0.331757 1.773653 -1.043223
O 2.264790 -2.320198 0.198946
N -1.076693 0.049864 -0.306492
N 1.298314 -0.266928 -0.408220
N -2.533228 -1.680090 0.422849
C 0.215918 0.590145 -0.607492
C -1.238256 -1.260609 0.170080
C -2.243045 0.912020 -0.632687
C 2.665667 0.274953 -0.667548
C 1.203349 -1.638396 0.058091
C -0.134274 -2.087366 0.343342
C -3.041423 1.346582 0.582344
C 3.295196 0.835838 0.593877
C -4.397595 1.329456 0.648743
C 3.634018 2.138031 0.755925
H -1.801997 1.804350 -1.115154
H -2.888379 0.398760 -1.369972
H 3.264812 -0.573384 -1.041852
H 2.577228 1.052244 -1.442056
H -0.249413 -3.098805 0.735219
H -2.449904 1.733425 1.424193
H 3.485567 0.104187 1.391292
H -3.280862 -1.006551 0.591910
H -2.669520 -2.638075 0.735377
H -4.931330 1.709218 1.525914
H -5.012374 0.967774 -0.186462
H 4.106616 2.496659 1.677551
H 3.442360 2.881244 -0.027496


