%chk=000037616.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037616

0 1
 O  -0.3112000      -1.293300     -7.9999998E-04
 O   0.4544000      0.8918000      2.7999999E-03
 N    1.943500     -0.9152000     -6.0000003E-04
 N   -6.624300       1.072700     -6.9999998E-04
 C    3.214100     -0.2962000      3.0000001E-04
 C   -1.586100     -0.8161000      9.9999997E-05
 C    4.354000      -1.084500     -1.1000000E-03
 C    3.295500       1.087200      1.2000001E-03
 C   -2.238800     -0.5700000      -1.208000    
 C   -2.239800     -0.5728000       1.207900    
 C    5.607900     -0.4735000     -1.4000000E-03
 C    4.549400       1.698300      7.9999998E-04
 C   -4.198600      0.1624000     -9.9999997E-05
 C   -3.545100     -8.0799997E-02  -1.208100    
 C   -3.546100     -8.3600000E-02   1.208000    
 C    5.705700      0.9179000     -3.9999999E-04
 C   0.7018000     -0.3086000      5.0000002E-04
 C   -5.536400      0.6644000     -5.0000002E-04
 H    4.289200      -2.169100     -2.0999999E-03
 H    2.447800       1.756600      1.9000000E-03
 H    1.946000      -1.932300     -2.0000001E-03
 H   -1.735300     -0.7578000      -2.152500    
 H   -1.737100     -0.7627000       2.152400    
 H    6.508200      -1.081100     -2.4999999E-03
 H    4.627100       2.781800      1.5000000E-03
 H   -4.040400      0.1061000      -2.157900    
 H   -4.042300      0.1011000       2.157800    
 H    6.681900       1.393700     -6.9999998E-04


%chk=000037616-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000037616

0 1
O -0.285685 -1.098153 -0.000701
O 0.510527 1.141687 0.003011
N 1.944654 -0.753193 -0.000186
N -6.921347 0.663243 0.001738
C 3.253759 -0.188563 -0.000089
C -1.641992 -0.667190 -0.000635
C 4.349280 -1.092004 -0.002100
C 3.487803 1.211149 0.001938
C -2.307878 -0.494279 -1.231377
C -2.308179 -0.495406 1.230104
C 5.670116 -0.600377 -0.002071
C 4.817224 1.685668 0.001928
C -4.363581 0.026959 -0.000653
C -3.672193 -0.147336 -1.231985
C -3.672483 -0.148444 1.230693
C 5.913190 0.792999 -0.000063
C 0.740775 -0.084379 0.001672
C -5.760109 0.377151 -0.000708
H 4.168158 -2.174471 -0.003657
H 2.643662 1.903992 0.003495
H 1.872600 -1.773320 -0.001820
H -1.760254 -0.631478 -2.168196
H -1.760785 -0.633436 2.166936
H 6.507807 -1.306164 -0.003619
H 4.993771 2.766930 0.003494
H -4.206313 -0.009018 -2.176709
H -4.206829 -0.010968 2.175412
H 6.939302 1.174802 -0.000053


