%chk=000041898.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041898

0 1
 N   -1.954200       1.040200     -0.9104000    
 C   -2.085000      0.3189000      0.3567000    
 C   -2.403600      -1.163900      0.1203000    
 C  -0.8671000      0.5497000       1.266900    
 C   -1.327500      -1.985800     -0.5904000    
 C  -4.0899999E-02  -2.141600      0.2185000    
 C   0.4804000      0.3197000      0.6222000    
 C   0.8658000     -0.9401000      0.1292000    
 C    1.377600       1.398000      0.5223000    
 C    2.136800      -1.088600     -0.4534000    
 C   -1.829400       2.467200     -0.6724000    
 C    2.633700       1.235200     -6.0300000E-02
 C    3.013200     -8.7000001E-03 -0.5493000    
 H   -2.961100      0.7165000      0.8894000    
 H   -3.329400      -1.236900     -0.4664000    
 H   -2.629100      -1.635700       1.086000    
 H  -0.9376000     -0.1053000       2.146200    
 H  -0.9087000       1.563700       1.686500    
 H   -1.117900      -1.572000      -1.584000    
 H   -1.743400      -2.988300     -0.7548000    
 H   0.4905000      -3.023400     -0.1624000    
 H  -0.2579000      -2.360300       1.271300    
 H   -2.781200      0.8666000      -1.481400    
 H    1.110400       2.377500      0.9114000    
 H    2.455100      -2.054100     -0.8400000    
 H   -2.642100       2.852700     -4.7200002E-02
 H   -1.896300       2.986800      -1.634800    
 H  -0.8733000       2.764200     -0.2419000    
 H    3.314900       2.078300     -0.1279000    
 H    3.991100     -0.1408000      -1.002600    


%chk=000041898-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041898

0 1
N -2.004486 1.037529 -0.864005
C -2.108351 0.324151 0.426384
C -2.439755 -1.167167 0.168945
C -0.840019 0.531720 1.314066
C -1.372947 -1.972741 -0.606368
C -0.034431 -2.154812 0.163250
C 0.511589 0.315225 0.647465
C 0.896599 -0.950890 0.113550
C 1.430623 1.391679 0.583897
C 2.178884 -1.087017 -0.473488
C -1.912486 2.505893 -0.792219
C 2.708199 1.245721 -0.001657
C 3.084891 -0.004315 -0.537844
H -2.958281 0.730804 1.040929
H -3.403792 -1.216584 -0.381256
H -2.620640 -1.652180 1.149855
H -0.952514 -0.149275 2.183888
H -0.868189 1.558084 1.726131
H -1.169443 -1.484848 -1.577379
H -1.790863 -2.976293 -0.822212
H 0.499121 -3.029882 -0.253395
H -0.272967 -2.409343 1.218719
H -2.739133 0.729174 -1.513788
H 1.140093 2.362401 1.006718
H 2.471563 -2.061233 -0.885220
H -2.706975 2.982031 -0.164274
H -1.979313 2.927311 -1.810667
H -0.932948 2.806419 -0.379454
H 3.398588 2.096086 -0.036677
H 4.071182 -0.137948 -0.996596


