%chk=000066663.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066663

0 1
 O  -7.4400000E-02  -3.006300      0.8889000    
 N   -4.941000      0.8626000     -0.2482000    
 N    4.967700      0.7263000     -0.2193000    
 C   -3.714800      0.1939000     -5.2299999E-02
 C    3.722500      9.1600001E-02 -3.0400001E-02
 C   -6.196600      0.1647000     -5.4800000E-02
 C   -4.961600       2.252400     -0.6590000    
 C    5.621100      0.6905000      -1.512600    
 C    5.616800       1.411000      0.8810000    
 C   -1.323900      -1.109800      0.3296000    
 C    1.259500      -1.164100      0.3433000    
 C   -3.705200      -1.143800      0.3432000    
 C    3.105600     -0.5646000      -1.095600    
 C   -2.511500      0.8701000     -0.2540000    
 C    3.107900      0.1200000       1.221400    
 C  -2.4800001E-02  -1.818100      0.5378000    
 C   -2.492400      -1.805100      0.5370000    
 C    1.874000      -1.192500     -0.9087000    
 C   -1.298700      0.2087000     -6.0400002E-02
 C    1.876400     -0.5080000       1.408300    
 C   -6.568700     -0.6558000      -1.272400    
 C   -4.761900       3.182500      0.5199000    
 C    6.369900     -0.6097000      -1.720200    
 C    5.054100       2.803500       1.077600    
 H   -6.205500     -0.4405000      0.8588000    
 H   -6.997700      0.8978000      0.1098000    
 H   -4.249400       2.462900      -1.465000    
 H   -5.937900       2.485800      -1.104600    
 H    4.931000      0.8960000      -2.338900    
 H    6.351700       1.508300      -1.573000    
 H    5.592100      0.8303000       1.810300    
 H    6.688700       1.513200      0.6646000    
 H   -4.603300      -1.725900      0.5163000    
 H    3.529100     -0.6240000      -2.091800    
 H   -2.449800       1.907900     -0.5615000    
 H    3.533400      0.6112000       2.089200    
 H   -2.509100      -2.845900      0.8447000    
 H    1.401500      -1.701300      -1.745200    
 H  -0.3837000      0.7665000     -0.2267000    
 H    1.405900     -0.4801000       2.387900    
 H   -6.647200     -2.0500001E-02  -2.161500    
 H   -5.836600      -1.437700      -1.492600    
 H   -7.538800      -1.139400      -1.119400    
 H   -5.538300       3.024500       1.276400    
 H   -3.794700       3.040800       1.010000    
 H   -4.820900       4.225200      0.1919000    
 H    7.121500     -0.7562000     -0.9367000    
 H    5.710100      -1.481800      -1.707600    
 H    6.888600     -0.5967000      -2.684100    
 H    5.171600       3.402800      0.1680000    
 H    3.989900       2.796900       1.329300    
 H    5.585800       3.314600       1.886600    


%chk=000066663-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000066663

0 1
O -0.103504 -1.950079 2.523279
N -5.133151 0.690529 -0.566430
N 5.172029 0.588794 -0.218637
C -3.898426 0.271654 -0.061252
C 3.896594 0.197500 0.200800
C -6.357421 -0.118528 -0.394282
C -5.280006 1.962086 -1.302475
C 5.405112 1.166434 -1.557463
C 6.355830 0.440029 0.652494
C -1.338545 -0.608110 0.960241
C 1.256913 -0.602002 1.073406
C -3.739455 -1.014486 0.558697
C 2.771750 0.231732 -0.687995
C -2.736278 1.109056 -0.130725
C 3.657319 -0.267535 1.538600
C -0.063944 -1.096885 1.567874
C -2.499497 -1.423821 1.064176
C 1.490971 -0.148340 -0.254178
C -1.494082 0.670464 0.356663
C 2.378726 -0.667586 1.945893
C -6.547720 -1.192862 -1.491277
C -5.554285 3.180343 -0.388662
C 5.654804 0.103684 -2.654440
C 6.581278 1.641858 1.600525
H -6.351832 -0.589134 0.605998
H -7.221373 0.572687 -0.402663
H -4.377276 2.139325 -1.915659
H -6.117366 1.843873 -2.016344
H 4.550045 1.809910 -1.835589
H 6.283407 1.836067 -1.488317
H 6.270876 -0.495714 1.234818
H 7.241179 0.315146 0.000486
H -4.587642 -1.700787 0.634944
H 2.900835 0.529876 -1.732244
H -2.806618 2.119601 -0.543047
H 4.474245 -0.306403 2.264753
H -2.396624 -2.397930 1.554731
H 0.667471 -0.140263 -0.976282
H -0.640363 1.355297 0.312722
H 2.214016 -1.042747 2.961850
H -6.613536 -0.726147 -2.490905
H -5.700688 -1.900096 -1.503303
H -7.477881 -1.765317 -1.317190
H -6.483085 3.033771 0.192038
H -4.729238 3.334066 0.328334
H -5.668260 4.100567 -0.991733
H 6.537478 -0.513483 -2.407137
H 4.788418 -0.572439 -2.755729
H 5.836549 0.588112 -3.631995
H 6.719207 2.575127 1.024816
H 5.717507 1.784031 2.272761
H 7.483538 1.483776 2.220351


