%chk=000050043.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050043

0 1
 O    2.655500       1.130600      0.7564000    
 O   -1.891000     -4.1400000E-02  0.2583000    
 O   -1.114300      -2.116100     -0.3096000    
 N   -5.566100      0.2308000      0.1853000    
 N   0.3311000     -0.3603000      0.2460000    
 C   -4.177900      0.6502000      0.3743000    
 C   -3.225400     -0.4975000      7.9000004E-02
 C    1.615700     -0.9379000      0.1262000    
 C    2.746100     -0.1776000      0.3844000    
 C    3.283800       2.089600     -9.1399997E-02
 C    2.531000       3.407100      1.4100000E-02
 C   -5.774500     -0.2456000      -1.181700    
 C   -6.478700       1.332900      0.4871000    
 C    1.716100      -2.268500     -0.2518000    
 C    4.007000     -0.7616000      0.2619000    
 C  -0.8945000     -0.9599000      3.0400001E-02
 C    3.136800       4.476600     -0.8768000    
 C    2.977000      -2.852300     -0.3743000    
 C    4.122300      -2.099000     -0.1176000    
 H   -3.923500       1.512400     -0.2572000    
 H   -4.018500      0.9761000       1.410300    
 H   -3.418500      -1.338400      0.7562000    
 H   -3.305900     -0.8403000     -0.9570000    
 H    4.322700       2.220600      0.2323000    
 H    3.281000       1.747100      -1.134300    
 H    1.479100       3.251800     -0.2543000    
 H    2.528700       3.747100       1.056600    
 H   -5.319000      -1.227000      -1.346500    
 H   -5.404300      0.4599000      -1.934500    
 H   -6.843900     -0.3998000      -1.372200    
 H   -7.521000       1.005000      0.4037000    
 H   -6.331100       2.188200     -0.1824000    
 H   -6.341500       1.675000       1.519100    
 H   0.3129000      0.6177000      0.5252000    
 H   0.8811000      -2.918300     -0.4677000    
 H    4.908500     -0.1908000      0.4671000    
 H    3.110400       4.173000      -1.928200    
 H    2.577600       5.412400     -0.7798000    
 H    4.177900       4.673000     -0.6015000    
 H    3.068400      -3.893700     -0.6692000    
 H    5.103800      -2.554300     -0.2111000    


%chk=000050043-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050043

0 1
O 2.332074 1.346132 0.010857
O -1.972037 0.591493 0.870376
O -1.617105 -1.650741 0.219032
N -5.627882 0.139626 -0.003654
N 0.101110 -0.017518 0.219425
C -4.207909 0.504946 -0.211399
C -3.409308 0.282102 1.087397
C 1.226804 -0.751507 -0.226795
C 2.446097 -0.014072 -0.342852
C 3.536268 2.191305 -0.075911
C 3.136232 3.604278 0.355322
C -5.874387 -1.312951 -0.129451
C -6.566546 0.932021 -0.821909
C 1.214779 -2.126622 -0.554460
C 3.628479 -0.643729 -0.778014
C -1.184344 -0.483885 0.406034
C 4.336996 4.574468 0.298342
C 2.404764 -2.754246 -0.991612
C 3.604992 -2.021889 -1.103872
H -3.733433 -0.076275 -1.038457
H -4.148850 1.574353 -0.483406
H -3.734551 0.980810 1.872513
H -3.501326 -0.759084 1.441016
H 4.322695 1.779323 0.590177
H 3.914482 2.185308 -1.119420
H 2.323482 3.963370 -0.303314
H 2.726789 3.563353 1.381947
H -5.178440 -1.878363 0.512583
H -5.746868 -1.684810 -1.177206
H -6.904196 -1.544195 0.197138
H -7.604802 0.682635 -0.536329
H -6.463483 0.752093 -1.922307
H -6.412330 2.009244 -0.633657
H 0.270775 0.971333 0.426730
H 0.279638 -2.683181 -0.463446
H 4.561345 -0.079390 -0.865761
H 4.748278 4.647537 -0.725852
H 4.033495 5.588874 0.610992
H 5.152901 4.246295 0.969228
H 2.386116 -3.819845 -1.243032
H 4.524107 -2.511800 -1.442191


