%chk=000044426.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044426

0 1
 O    5.892200     -0.1092000      0.6211000    
 O  -0.5493000       2.163300      3.9999999E-04
 N    3.221500      0.2324000     -0.3020000    
 C   0.7967000      0.1603000      0.1175000    
 C    1.972300      0.9837000     -0.4052000    
 C   0.7078000      -1.169700     -0.6295000    
 C  -0.4482000      -2.006500     -9.4700001E-02
 C  -0.5100000      0.9360000     -1.3900000E-02
 C   -1.743700      -1.243800     -0.1382000    
 C   -1.775300      0.1583000     -9.4400004E-02
 C    3.513200     -0.1053000       1.098000    
 C    4.337700      0.9942000     -0.8793000    
 C    4.826900     -0.8774000       1.181900    
 C    5.631400      0.1955000     -0.7494000    
 C   -2.999200      0.8389000     -0.1229000    
 C   -2.955100      -1.949000     -0.1817000    
 C   -4.194500      0.1227000     -0.1813000    
 C   -4.173100      -1.269400     -0.2075000    
 C   -5.497800      0.8480000     -0.2094000    
 C   -6.053600       1.096800       1.190200    
 H   0.8906000     -1.6000001E-02   1.195900    
 H    2.041500       1.933000      0.1432000    
 H    1.784700       1.245300      -1.455400    
 H    1.625000      -1.759700     -0.5271000    
 H   0.5601000     -0.9881000      -1.702900    
 H  -0.2501000      -2.306900      0.9414000    
 H  -0.5288000      -2.919100     -0.6973000    
 H    2.752800     -0.7542000       1.540200    
 H    3.585200      0.8065000       1.705200    
 H    4.449900       1.956200     -0.3621000    
 H    4.151400       1.198000      -1.939900    
 H    5.076900      -1.076100       2.229000    
 H    4.762200      -1.844000      0.6672000    
 H    5.593100     -0.7341000      -1.330300    
 H    6.473200      0.7860000      -1.124900    
 H   -3.029800       1.925500     -9.3000002E-02
 H   -2.955900      -3.036300     -0.1985000    
 H   -5.098100      -1.838600     -0.2450000    
 H   -5.382200       1.806400     -0.7309000    
 H   -6.230100      0.2791000     -0.7960000    
 H   -6.223600      0.1546000       1.722200    
 H   -7.007700       1.629600       1.128400    
 H   -5.363900       1.701800       1.788500    


%chk=000044426-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044426

0 1
O 6.077888 -0.032334 0.646134
O -0.521603 2.150207 0.059733
N 3.288674 0.234994 -0.150528
C 0.780149 0.072403 0.030754
C 1.997228 0.938031 -0.368082
C 0.663445 -1.223542 -0.806876
C -0.511356 -2.088711 -0.310813
C -0.525423 0.883798 -0.020060
C -1.814716 -1.303790 -0.275762
C -1.807777 0.116984 -0.139885
C 3.684876 0.190089 1.281823
C 4.388335 0.828860 -0.957014
C 4.986557 -0.611715 1.445846
C 5.677919 0.014217 -0.770602
C -3.032371 0.837262 -0.106831
C -3.065399 -1.958197 -0.379945
C -4.278141 0.183243 -0.200369
C -4.273768 -1.232412 -0.340534
C -5.587417 0.954004 -0.109171
C -6.133310 1.013448 1.343189
H 0.890885 -0.234621 1.096876
H 1.949658 1.910184 0.174365
H 1.916962 1.172454 -1.447279
H 1.620598 -1.770267 -0.740290
H 0.508883 -0.956932 -1.872213
H -0.278988 -2.457867 0.711609
H -0.631614 -2.988063 -0.943430
H 2.887391 -0.297450 1.873641
H 3.830778 1.221489 1.692111
H 4.584158 1.891788 -0.666155
H 4.096538 0.815879 -2.024371
H 5.340930 -0.585342 2.489670
H 4.813996 -1.665493 1.135685
H 5.522050 -1.019569 -1.148889
H 6.524860 0.480554 -1.300676
H -2.975646 1.927597 -0.006024
H -3.089975 -3.048070 -0.502140
H -5.229170 -1.765099 -0.429898
H -5.441571 1.985158 -0.482113
H -6.348012 0.481894 -0.760697
H -6.313698 -0.002342 1.739898
H -7.085648 1.573154 1.383272
H -5.410858 1.512826 2.013642


