%chk=000050434.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050434

0 1
 O    2.004600       2.801100      0.1249000    
 O   -1.526800      -2.300100      -1.181500    
 O   -2.909600       2.332600       1.096600    
 N    6.030600     -0.6418000      0.7764000    
 C    3.697100     -0.2634000      3.1999999E-03
 C    3.408600      -1.765600      0.1197000    
 C    5.192300     -2.2399999E-02 -0.2541000    
 C    2.848600      0.3663000      -1.099400    
 C    4.340800      -2.416500       1.138200    
 C    5.801700      -2.086800      0.8396000    
 C    1.441700      0.6099000     -0.6622000    
 C   0.4858000     -0.3878000     -0.8554000    
 C    1.081100       1.817700     -6.8200000E-02
 C  -0.8381000     -0.1758000     -0.4522000    
 C   -1.199500       1.034700      0.1431000    
 C  -0.2370000       2.033200      0.3351000    
 C   -1.843700      -1.237500     -0.6613000    
 C   -2.592800       1.272000      0.5725000    
 C   -3.237100     -0.9999000     -0.2325000    
 C   -3.598500      0.2106000      0.3626000    
 C   -4.200000      -1.997600     -0.4265000    
 C   -4.922700      0.4232000      0.7642000    
 C    2.170400       3.749400     -0.9272000    
 C   -5.518500      -1.781500     -2.4700001E-02
 C   -5.879100     -0.5738000      0.5693000    
 H    3.450400      0.2083000      0.9657000    
 H    3.542500      -2.254600     -0.8535000    
 H    2.376400      -1.947200      0.4350000    
 H    5.482300     -0.4018000      -1.242100    
 H    5.398300       1.054300     -0.2613000    
 H    2.855700     -0.2642000      -1.999100    
 H    3.304800       1.305600      -1.430500    
 H    4.082400      -2.067100       2.145900    
 H    4.196900      -3.502900       1.130000    
 H    6.438300      -2.511300       1.623700    
 H    6.112800      -2.553600     -0.1029000    
 H    5.798100     -0.2310000       1.681000    
 H   0.7733000      -1.323500      -1.328700    
 H  -0.5003000       2.981600      0.7971000    
 H   -3.944300      -2.947900     -0.8874000    
 H   -5.229300       1.356200       1.229500    
 H    3.127900       4.257400     -0.7835000    
 H    1.368800       4.493000     -0.8794000    
 H    2.169500       3.272700      -1.912700    
 H   -6.265100      -2.556100     -0.1754000    
 H   -6.906300     -0.4081000      0.8811000    


%chk=000050434-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050434

0 1
O 2.188277 2.574373 -0.401421
O -1.656856 -2.518028 -1.273780
O -2.846813 2.468059 0.788011
N 6.265648 -0.748766 0.334980
C 3.823495 -0.288627 -0.237660
C 3.442427 -1.632738 0.434513
C 5.304037 -0.354438 -0.719618
C 2.887617 0.069662 -1.434962
C 4.438239 -2.010375 1.559172
C 5.891322 -2.014664 1.013304
C 1.467167 0.376775 -1.011364
C 0.438259 -0.578545 -1.104289
C 1.130619 1.662595 -0.468155
C -0.887722 -0.309267 -0.678916
C -1.195360 0.975120 -0.146050
C -0.182590 1.956576 -0.046500
C -1.926871 -1.366725 -0.798314
C -2.574267 1.317374 0.313543
C -3.312118 -1.029913 -0.335040
C -3.622131 0.256557 0.196929
C -4.327979 -2.011845 -0.429372
C -4.942472 0.540198 0.625079
C 1.901908 3.922826 0.107491
C -5.639409 -1.722221 -0.000929
C -5.947623 -0.442916 0.527634
H 3.746067 0.523732 0.515103
H 3.450486 -2.431643 -0.338713
H 2.411837 -1.588075 0.834597
H 5.377666 -1.096395 -1.542717
H 5.615001 0.624165 -1.132199
H 2.886463 -0.776998 -2.148378
H 3.316165 0.949660 -1.951584
H 4.359713 -1.277233 2.388545
H 4.184570 -3.004775 1.977203
H 6.618408 -2.207415 1.823546
H 5.998290 -2.835580 0.275214
H 6.411614 0.012228 1.013812
H 0.648375 -1.570150 -1.519409
H -0.466114 2.929647 0.364781
H -4.061597 -2.990202 -0.841602
H -5.151205 1.535826 1.029128
H 2.860280 4.458604 0.051039
H 1.551500 3.886337 1.156041
H 1.146949 4.432258 -0.520091
H -6.421305 -2.485527 -0.076044
H -6.966970 -0.219514 0.860139


