%chk=000034626.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034626

1 1
 O   7.1300000E-02 -0.6393000     -0.2398000    
 N   -3.571200     -0.1105000      4.4599999E-02
 C    2.436800     -0.6558000     -0.6493000    
 C    2.799800     -0.8739000      0.8437000    
 C    2.892900      -2.945700      1.1000000E-02
 C    2.447500      -2.111500      -1.211700    
 C    3.855500      -1.979000      0.7080000    
 C    1.129000      8.2000002E-02 -0.8949000    
 C    1.715600      -1.678500       1.522600    
 C    1.768400      -2.920200       1.018600    
 C   0.7733000      7.0400000E-02  -2.393100    
 C    1.204200       1.490700     -0.3021000    
 C   -1.172700      8.9999996E-03 -0.4260000    
 C   -2.263900     -0.7754000      0.2755000    
 C    1.669100       2.514900      -1.094700    
 C   0.8037000       1.679600       1.000700    
 C   -3.876600     -1.7100001E-02  -1.456500    
 C   -4.707100     -0.8948000      0.7152000    
 C   -3.568000       1.312000      0.6208000    
 C    1.737600       3.799100     -0.5547000    
 C   0.8720000       2.964000       1.540700    
 C   -3.885800      -1.408600      -2.050600    
 C   -4.470400     -0.9352000       2.209100    
 C    1.339000       4.023700      0.7629000    
 H    3.261600     -0.1061000      -1.127000    
 H    3.148900     -7.9999998E-04   1.396300    
 H    3.296800      -3.935300     -0.2045000    
 H    1.483400      -2.459300      -1.595200    
 H    3.185400      -2.189700      -2.018600    
 H    4.709400      -1.692400      8.3700001E-02
 H    4.226600      -2.350200       1.672000    
 H    1.013600      -1.322600       2.259300    
 H    1.111400      -3.739600       1.262000    
 H   4.8000000E-02  0.8451000      -2.670900    
 H   0.3565000     -0.8900000      -2.717300    
 H    1.660800      0.2611000      -3.009400    
 H   -1.393400     -1.7600000E-02  -1.489900    
 H   -1.183700       1.047800     -0.1097000    
 H   -2.295700      -1.828900     -2.0600000E-02
 H   -2.033700     -0.7649000       1.346500    
 H    2.003100       2.365900      -2.115500    
 H   0.4483000      0.8838000       1.644400    
 H   -4.871500      0.4361000      -1.551200    
 H   -3.176100      0.6606000      -1.951400    
 H   -5.656900     -0.4066000      0.4709000    
 H   -4.708100      -1.921100      0.3413000    
 H   -3.065400       1.985400     -7.9899997E-02
 H   -4.604700       1.645500      0.7327000    
 H   -3.048000       1.319500       1.582800    
 H    2.105300       4.623600      -1.158400    
 H   0.5647000       3.138900       2.567600    
 H   -4.099600      -1.313900      -3.122900    
 H   -2.925000      -1.925100      -1.993300    
 H   -4.672600      -2.057600      -1.661500    
 H   -4.430500      5.0299998E-02   2.679000    
 H   -3.582400      -1.505800       2.492500    
 H   -5.315300      -1.455000       2.677600    
 H    1.393800       5.023300       1.183900    


%chk=000034626-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000034626

1 1
O -0.024575 -0.527719 -0.512449
N -3.735916 -0.107769 0.008544
C 2.420093 -0.719535 -0.607870
C 2.752597 -0.954586 0.927198
C 2.913525 -3.050914 0.043414
C 2.410042 -2.184673 -1.181794
C 3.868687 -2.037211 0.748043
C 1.212312 0.181605 -1.010567
C 1.653230 -1.813350 1.566953
C 1.758168 -3.071799 1.050843
C 1.137248 0.276100 -2.553539
C 1.304863 1.563282 -0.329823
C -1.290254 0.102726 -0.867768
C -2.268551 -0.572323 0.109494
C 1.879745 2.680081 -0.988347
C 0.857686 1.729599 1.008830
C -4.289866 -0.247930 -1.439691
C -4.613925 -0.971028 0.959436
C -3.848562 1.363696 0.402505
C 2.004235 3.925746 -0.330755
C 0.974963 2.972916 1.666108
C -4.202086 -1.650478 -2.048539
C -4.290899 -0.846360 2.452795
C 1.550492 4.079101 0.998028
H 3.297776 -0.181152 -1.020915
H 3.033607 -0.038872 1.466961
H 3.331657 -4.028410 -0.238829
H 1.400779 -2.498635 -1.497475
H 3.093964 -2.285325 -2.043595
H 4.710256 -1.703474 0.113197
H 4.252086 -2.412360 1.710764
H 0.894833 -1.443292 2.262713
H 1.099401 -3.926266 1.228555
H 0.387625 1.013642 -2.892581
H 0.886540 -0.712350 -2.973767
H 2.111111 0.574959 -2.977159
H -1.551014 -0.103378 -1.926378
H -1.244966 1.200614 -0.711887
H -2.249496 -1.663727 -0.043229
H -1.933601 -0.364382 1.137713
H 2.242658 2.588880 -2.017295
H 0.432509 0.867826 1.535448
H -5.338374 0.095457 -1.387795
H -3.727698 0.476306 -2.052085
H -5.656238 -0.664941 0.759076
H -4.487413 -2.013654 0.627024
H -3.371259 1.984213 -0.369192
H -4.913388 1.631492 0.486058
H -3.342709 1.527894 1.363851
H 2.457999 4.773180 -0.855852
H 0.636854 3.076812 2.703422
H -4.605362 -1.592696 -3.075131
H -3.165886 -2.017532 -2.131839
H -4.807532 -2.398781 -1.511976
H -4.442298 0.172167 2.845737
H -3.272956 -1.185842 2.704720
H -4.989283 -1.506051 2.997653
H 1.651566 5.042799 1.508340


