%chk=000029032.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029032

0 1
 O   0.4387000      -2.360700      -1.212900    
 O   -4.487000      -1.231800      -1.253300    
 O   -2.270700       2.369600      0.9956000    
 O   -4.578700       1.272200     -7.2300002E-02
 N    1.173200      -1.271100      0.6975000    
 C    2.473300      -1.899500      0.7595000    
 C    3.512700     -0.9661000       1.399500    
 C    4.004200      0.1052000      0.4552000    
 C    2.374800      -3.209500       1.534700    
 C   0.2549000      -1.561100     -0.2990000    
 C   -1.025900     -0.8108000     -0.2376000    
 C    5.111400     -0.1461000     -0.3391000    
 C    3.339100       1.319400      0.4010000    
 C   -1.041000      0.4343000      0.3558000    
 C   -2.158900      -1.382900     -0.7778000    
 C   -3.361200     -0.6779000     -0.7222000    
 C   -2.243400       1.139100      0.4116000    
 C   -3.403500      0.5830000     -0.1274000    
 C    5.565600      0.8435000      -1.211000    
 C    3.793100       2.309000     -0.4710000    
 C    4.906500       2.071000      -1.276900    
 C   -5.286800      -2.032600     -0.3853000    
 C   -2.020800       3.492700      0.1527000    
 C   -5.069800       1.611100       1.222600    
 H    2.782800      -2.146800     -0.2641000    
 H    4.383200      -1.548900       1.730600    
 H    3.112000     -0.5015000       2.310600    
 H   0.9100000     -0.6826000       1.481000    
 H    2.054100      -3.034700       2.567800    
 H    1.646100      -3.885800       1.074500    
 H    3.340700      -3.725000       1.559200    
 H    5.629900      -1.099600     -0.2970000    
 H    2.472600       1.515800       1.025600    
 H  -0.1503000      0.9083000      0.7560000    
 H   -2.135600      -2.366200      -1.239200    
 H    6.432000      0.6581000      -1.839200    
 H    3.279900       3.264800     -0.5222000    
 H    5.260000       2.841400      -1.955900    
 H   -5.648800      -1.441900      0.4618000    
 H   -6.148700      -2.395400     -0.9518000    
 H   -4.716300      -2.894700     -2.5599999E-02
 H   -1.013500       3.435900     -0.2720000    
 H   -2.764300       3.547300     -0.6487000    
 H   -2.094000       4.399200      0.7596000    
 H   -4.723300      0.9138000       1.993400    
 H   -4.781200       2.634600       1.477300    
 H   -6.162400       1.566400       1.190000    


%chk=000029032-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000029032

0 1
O 0.437375 -3.061420 -0.555529
O -4.482580 -1.691086 -0.266842
O -1.889041 2.443791 0.598889
O -4.450834 1.152453 0.237532
N 1.477021 -1.499859 0.814944
C 2.784395 -2.190904 0.803985
C 3.887470 -1.216242 1.303375
C 3.981264 0.077797 0.505762
C 2.747926 -3.484632 1.649166
C 0.395504 -1.962500 0.088348
C -0.840123 -1.097071 0.115131
C 4.424698 0.066629 -0.842657
C 3.610330 1.319168 1.083221
C -0.789875 0.303572 0.332314
C -2.082733 -1.721913 -0.135811
C -3.281650 -0.978226 -0.113457
C -1.980824 1.055746 0.339660
C -3.243099 0.419907 0.162007
C 4.492043 1.260632 -1.592880
C 3.672989 2.518358 0.335130
C 4.114026 2.492353 -1.007005
C -5.429594 -1.203683 -1.294514
C -2.383537 3.316892 -0.492550
C -4.759549 1.656205 1.600463
H 2.986919 -2.473232 -0.247902
H 4.846906 -1.766113 1.260193
H 3.702494 -0.989570 2.372716
H 1.388035 -0.637545 1.354567
H 2.552958 -3.255498 2.713243
H 1.951801 -4.149409 1.276329
H 3.713028 -4.019970 1.577662
H 4.718873 -0.883094 -1.307034
H 3.284381 1.351126 2.131503
H 0.154387 0.848479 0.440648
H -2.116190 -2.794832 -0.344081
H 4.838823 1.232879 -2.632115
H 3.382952 3.467414 0.800079
H 4.166377 3.419148 -1.589135
H -4.960467 -1.255236 -2.295839
H -6.281929 -1.898218 -1.246289
H -5.752656 -0.172323 -1.076993
H -1.769297 3.170037 -1.400931
H -3.444577 3.106706 -0.715902
H -2.262314 4.345392 -0.119904
H -4.893425 0.806191 2.294082
H -3.951656 2.319030 1.958230
H -5.702323 2.215173 1.499791


