%chk=000080677.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080677

0 1
 O    5.704300      -1.271500      7.0400000E-02
 N   -4.502500     -0.5851000     -3.6300000E-02
 N   0.7785000       1.308700     -6.8999999E-03
 C   -3.174900     -0.1092000     -2.8700000E-02
 C  -0.5489000      0.8326000     -1.4200000E-02
 C   -2.877300       1.117800      0.5641000    
 C   -2.159600     -0.8652000     -0.6146000    
 C   -1.564300       1.588600      0.5714000    
 C  -0.8466000     -0.3943000     -0.6073000    
 C    2.026200      0.6553000      1.3400000E-02
 C   -5.615100      0.3436000     -5.7900000E-02
 C   -4.771600      -2.009400     -3.6800001E-02
 C    3.137200       1.250800     -0.5859000    
 C    2.154000     -0.5892000      0.6322000    
 C    4.372600      0.6035000     -0.5666000    
 C    3.389500      -1.236600      0.6516000    
 C    4.498800     -0.6402000      5.2099999E-02
 H   -3.642100       1.725400       1.039500    
 H   -2.360000      -1.816300      -1.099600    
 H   -1.344000       2.544700       1.039600    
 H  -8.0200002E-02 -0.9925000      -1.092600    
 H   0.8482000       2.322400     -1.7800000E-02
 H   -5.802800      0.7477000      0.9424000    
 H   -6.535300     -0.1493000     -0.3914000    
 H   -5.432800       1.172100     -0.7518000    
 H   -5.796600      -2.217700      0.2903000    
 H   -4.107500      -2.543900      0.6519000    
 H   -4.656300      -2.426000      -1.042900    
 H    3.051500       2.219300      -1.072300    
 H    1.312700      -1.067600       1.126200    
 H    5.229000       1.078700      -1.037500    
 H    3.482700      -2.203200       1.139300    
 H    6.357600     -0.7167000     -0.3894000    


%chk=000080677-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000080677

0 1
O 5.790143 -1.287021 0.341435
N -4.566893 -0.605689 0.021530
N 0.796735 1.348185 -0.236333
C -3.244923 -0.136027 -0.040974
C -0.519809 0.818540 -0.150114
C -2.907951 1.200344 0.340499
C -2.175488 -0.972245 -0.491465
C -1.576644 1.654376 0.298864
C -0.850610 -0.502343 -0.554449
C 2.026542 0.665327 -0.111135
C -5.636792 0.284591 0.478421
C -4.877012 -1.973497 -0.402691
C 3.208797 1.276897 -0.615220
C 2.148714 -0.595736 0.543230
C 4.468322 0.659280 -0.468072
C 3.402967 -1.220525 0.675015
C 4.567059 -0.598949 0.170240
H -3.683359 1.889490 0.686982
H -2.376091 -1.997873 -0.814464
H -1.351588 2.677641 0.626102
H -0.071156 -1.162345 -0.947777
H 0.861074 2.353610 -0.398828
H -5.461767 0.643521 1.514263
H -6.595933 -0.257501 0.468262
H -5.744689 1.177000 -0.174104
H -5.953891 -2.164416 -0.269115
H -4.323064 -2.727018 0.195384
H -4.631767 -2.145641 -1.472099
H 3.140366 2.242928 -1.130691
H 1.264790 -1.073176 0.974804
H 5.364694 1.156230 -0.862379
H 3.496813 -2.186220 1.181128
H 6.536812 -0.764438 -0.042345


