%chk=000086166.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086166

0 1
 O    4.098000     -0.2078000      -1.080100    
 O    7.155000       2.343800      0.6131000    
 O   -1.419400      -2.544100      0.9767000    
 N    6.388300      0.3661000     -0.4021000    
 C    5.068900     -0.1351000     -3.6899999E-02
 C    4.960400       1.073000      0.9199000    
 C    6.360700       1.454900      0.4108000    
 C    2.821900     -0.5129000     -0.7186000    
 C   -2.299700     -0.4758000      0.1066000    
 C   -3.674700     -0.9826000      0.5478000    
 C   0.2056000      -1.139100      2.0000000E-02
 C   -1.158300      -1.465800      0.4049000    
 C   -4.762700      1.0500000E-02  0.2303000    
 C    1.787500      0.3833000     -0.9881000    
 C    2.548100      -1.722400     -7.9599999E-02
 C   0.4794000      7.0200004E-02 -0.6188000    
 C    1.239900      -2.035400      0.2896000    
 C   -5.098400      0.9770000       1.167100    
 C   -5.411500     -5.6699999E-02 -0.9941000    
 C   -6.105300       1.896500      0.8733000    
 C   -6.418300      0.8630000      -1.287900    
 C   -6.765100       1.839500     -0.3542000    
 H    5.186300      -1.094200      0.4838000    
 H    4.923300      0.8244000       1.983500    
 H    4.195200       1.815500      0.6790000    
 H    7.101900      4.6900000E-02  -1.042700    
 H   -2.079000      0.4651000      0.6250000    
 H   -2.318100     -0.2920000     -0.9744000    
 H   -3.897400      -1.942200      6.3000001E-02
 H   -3.671300      -1.195500       1.625000    
 H    1.995800       1.327000      -1.484800    
 H    3.338700      -2.439000      0.1244000    
 H  -0.2919000      0.7986000     -0.8475000    
 H    1.052000      -2.985300      0.7831000    
 H   -4.588900       1.031000       2.125100    
 H   -5.147300     -0.8122000      -1.728500    
 H   -6.375000       2.657300       1.599900    
 H   -6.931800      0.8192000      -2.243900    
 H   -7.548800       2.555700     -0.5831000    


%chk=000086166-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000086166

0 1
O 4.046180 0.700278 -0.674573
O 8.116736 1.221486 0.690014
O -1.362629 -2.260669 1.273662
N 6.427062 0.533655 -0.916595
C 5.231846 -0.129547 -0.401680
C 5.835049 0.005258 1.045152
C 7.035986 0.719916 0.342532
C 2.788797 0.181450 -0.329579
C -2.434130 -0.364763 0.175573
C -3.780791 -0.990194 0.612181
C 0.152414 -0.680083 0.274571
C -1.217287 -1.182369 0.621647
C -4.960580 -0.134857 0.174348
C 1.677463 0.943420 -0.770119
C 2.591292 -1.009216 0.419636
C 0.375063 0.515499 -0.467077
C 1.279582 -1.426113 0.709402
C -5.413365 0.941966 0.980869
C -5.612874 -0.368538 -1.064052
C -6.483728 1.764232 0.562625
C -6.684075 0.450791 -1.487899
C -7.122671 1.522336 -0.675950
H 5.050512 -1.150518 -0.784554
H 6.103312 -0.934840 1.551922
H 5.248242 0.654335 1.712721
H 6.684153 0.810034 -1.866109
H -2.346262 0.663613 0.581865
H -2.410847 -0.250846 -0.927607
H -3.852967 -2.007841 0.188245
H -3.771007 -1.114812 1.710198
H 1.861758 1.857606 -1.341938
H 3.438205 -1.596090 0.787438
H -0.470905 1.116937 -0.814665
H 1.096798 -2.340026 1.284755
H -4.929900 1.129322 1.948374
H -5.284487 -1.204021 -1.695468
H -6.823418 2.586707 1.202647
H -7.178982 0.250745 -2.445262
H -7.955548 2.156156 -1.000651


