%chk=000105115.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105115

0 1
 O   -2.228300      -3.226300       1.076000    
 O    4.621200      0.7837000       1.635900    
 O    6.331800       2.511200      0.4452000    
 N   -3.505900       2.859900     -0.1363000    
 N    5.342000       1.842200     -0.2880000    
 C  -0.3818000      -2.892700     -0.4433000    
 C   -1.625700      -2.452400      0.3323000    
 C   -2.121200      -1.050400      0.2087000    
 C   0.7810000      -2.079200      6.8000004E-02
 C  -0.1228000      -4.382700     -0.2157000    
 C   -3.036400       1.535000     -1.9600000E-02
 C   -1.907700     -0.3768000     -0.9724000    
 C   -2.773600     -0.4844000       1.280400    
 C   -2.371600      0.9336000      -1.088100    
 C   -3.237400      0.8260000       1.164700    
 C    1.582200      -1.241800     -0.6251000    
 C    1.467300      -1.005100      -2.108600    
 C   -2.817500       3.810200     -0.9869000    
 C   -4.691100       3.284400      0.5820000    
 C    2.639100     -0.5260000      9.5700003E-02
 C    3.518100      0.3379000     -0.4352000    
 C    4.538400      0.9937000      0.4303000    
 H  -0.5788000      -2.770900      -1.509400    
 H   0.9594000      -2.190900       1.139200    
 H   0.7590000      -4.713800     -0.7756000    
 H   4.5699999E-02  -4.613300      0.8429000    
 H  -0.9764000      -4.982100     -0.5517000    
 H   -1.431700     -0.8246000      -1.835600    
 H   -2.929600      -1.021500       2.211000    
 H   -2.216400       1.451200      -2.030600    
 H   -3.739500       1.269700       2.019900    
 H    2.421400      -1.213600      -2.606200    
 H    1.187100      3.4499999E-02  -2.310600    
 H   0.7305000      -1.641400      -2.601600    
 H   -3.094000       3.663100      -2.036200    
 H   -1.729600       3.724100     -0.8867000    
 H   -3.077300       4.840500     -0.7188000    
 H   -4.453600       3.501400       1.628700    
 H   -5.478200       2.522800      0.5429000    
 H   -5.113200       4.196100      0.1446000    
 H    2.693100     -0.7324000       1.163900    
 H    3.517900      0.5903000      -1.490000    
 H    5.241900       2.098900      -1.263700    
 H    7.093100       1.930900      0.2751000    


%chk=000105115-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000105115

0 1
O -1.740012 -2.875724 1.594658
O 5.401417 0.385617 1.445418
O 7.288108 1.761600 0.268763
N -4.150835 2.875720 -0.156885
N 6.183858 1.267754 -0.501185
C -0.284928 -2.604290 -0.352834
C -1.426053 -2.142596 0.605211
C -2.103643 -0.843405 0.362068
C 1.001990 -1.928487 0.079212
C -0.133562 -4.147710 -0.299851
C -3.485454 1.664550 0.010970
C -1.758468 0.048726 -0.692409
C -3.158779 -0.448475 1.236154
C -2.423077 1.270362 -0.869102
C -3.836415 0.763515 1.073606
C 1.907030 -1.233564 -0.692923
C 1.757258 -1.012715 -2.188343
C -3.769523 3.783221 -1.248796
C -5.230124 3.262133 0.765050
C 3.086010 -0.679921 -0.023731
C 4.090747 0.042304 -0.616764
C 5.219944 0.546436 0.178912
H -0.545150 -2.310146 -1.385727
H 1.230774 -2.043862 1.150503
H 0.693548 -4.474567 -0.954348
H 0.068680 -4.480044 0.731452
H -1.067383 -4.637444 -0.629398
H -0.947992 -0.201845 -1.383880
H -3.425281 -1.129814 2.051372
H -2.116393 1.924484 -1.689621
H -4.639312 1.019770 1.770127
H 2.649463 -1.382375 -2.728287
H 1.657933 0.064893 -2.424130
H 0.882108 -1.535855 -2.605393
H -3.896143 3.305243 -2.240743
H -2.715233 4.113591 -1.158307
H -4.408693 4.679120 -1.220948
H -4.869706 3.332296 1.810609
H -6.069721 2.539284 0.738699
H -5.622818 4.248806 0.474640
H 3.179170 -0.851397 1.058455
H 4.080689 0.265331 -1.691277
H 6.252133 1.510167 -1.486928
H 7.024737 1.408311 1.187432


