%chk=000045823.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045823

0 1
 O  -0.2488000       2.536300     -0.1668000    
 N   -4.039500     -0.6788000     -0.6968000    
 N   -1.532800      0.6023000     -0.3390000    
 C   -2.984600      -1.428200      4.6999999E-03
 C   -4.024800      0.6099000      1.5400000E-02
 C   -3.204500      -1.120700       1.490600    
 C   -3.893900      0.2429000       1.497600    
 C   -1.635000     -0.8642000     -0.4791000    
 C   -2.781800       1.368400     -0.4783000    
 C   -5.339500      -1.342100     -0.6419000    
 C  -0.3328000       1.312700     -0.2836000    
 C   0.9236000      0.5419000     -0.3829000    
 C    2.035200      0.9547000      0.1961000    
 C    3.313300      0.2263000      0.1175000    
 C    3.308500      -1.118700     -0.2155000    
 C    4.495900      0.9000000      0.3780000    
 C    4.518700      -1.808600     -0.2897000    
 C    5.705800      0.2101000      0.3038000    
 C    5.717100      -1.144200     -3.0099999E-02
 H   -3.014400      -2.504500     -0.1990000    
 H   -4.915200       1.218000     -0.1795000    
 H   -2.271600      -1.106100       2.063700    
 H   -3.863300      -1.868000       1.948500    
 H   -4.881800      0.1526000       1.964400    
 H   -3.323300      0.9827000       2.068700    
 H  -0.8206000      -1.341500      7.6099999E-02
 H   -1.490200      -1.090100      -1.543000    
 H   -2.884000       1.606200      -1.545100    
 H   -2.685900       2.322100      5.3500000E-02
 H   -6.090700     -0.7371000      -1.161600    
 H   -5.701300      -1.529500      0.3743000    
 H   -5.292400      -2.302600      -1.166600    
 H   0.8831000     -0.3481000     -0.9989000    
 H    2.050600       1.873400      0.7773000    
 H    2.402200      -1.686600     -0.3998000    
 H    4.503400       1.955200      0.6381000    
 H    4.527900      -2.864600     -0.5435000    
 H    6.639300      0.7271000      0.5059000    
 H    6.659200      -1.681600     -8.6499996E-02


%chk=000045823-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045823

0 1
O -0.342714 2.340486 0.098648
N -4.272593 -0.617500 -0.674933
N -1.615679 0.497781 -0.541479
C -3.134699 -1.427805 -0.134207
C -4.033323 0.688316 0.026376
C -3.093472 -1.124180 1.406759
C -3.709468 0.310618 1.515788
C -1.841302 -0.935489 -0.836095
C -2.819584 1.358971 -0.654400
C -5.606508 -1.207673 -0.416202
C -0.396038 1.099180 -0.208922
C 0.839997 0.261819 -0.249200
C 2.038088 0.807913 0.119810
C 3.357489 0.157910 0.112958
C 3.564442 -1.197315 -0.280837
C 4.492109 0.918763 0.518163
C 4.853804 -1.763042 -0.269904
C 5.784449 0.353390 0.529135
C 5.971461 -0.991376 0.134684
H -3.281300 -2.497001 -0.368069
H -4.913755 1.345647 -0.079156
H -2.062606 -1.159247 1.799946
H -3.691242 -1.865763 1.965535
H -4.628676 0.308205 2.127962
H -3.004979 1.030029 1.966238
H -0.990385 -1.534854 -0.477681
H -1.959373 -1.091598 -1.927284
H -3.059960 1.520801 -1.724040
H -2.570620 2.328002 -0.192668
H -6.382267 -0.532660 -0.819173
H -5.835937 -1.391956 0.660564
H -5.686365 -2.170334 -0.952033
H 0.788331 -0.768381 -0.614594
H 2.001898 1.856490 0.449992
H 2.713103 -1.810761 -0.596612
H 4.349059 1.962491 0.823521
H 4.994020 -2.805880 -0.576126
H 6.642446 0.957936 0.843103
H 6.973250 -1.434934 0.141432


