%chk=000050662.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050662

1 1
 O   0.8809000     -0.3759000      0.9076000    
 O  -0.1546000      -1.886800     -0.4867000    
 N    3.628700      0.1100000     -0.9542000    
 C    3.253900     -0.2016000       1.338700    
 C    3.539700      0.9100000      0.3418000    
 C    2.420400     -0.8470000     -0.8725000    
 C    2.140500     -0.9839000      0.6289000    
 C    4.955400     -0.6667000     -0.9680000    
 C    4.526500      -1.040500       1.525000    
 C    5.044800      -1.633500      0.2136000    
 C    3.547600       1.010600      -2.167300    
 C  -0.2022000     -0.9309000      0.2771000    
 C   -1.479100     -0.2201000      0.7146000    
 C   -1.475900       1.277600      0.4386000    
 C   -2.742900     -0.8931000      0.1941000    
 C   -2.190500       2.110400       1.274500    
 C   -3.251900     -0.4998000      -1.026100    
 C  -0.7581000       1.754900     -0.6384000    
 C   -3.337700      -1.874700      0.9588000    
 C   -2.187500       3.482200       1.021900    
 C   -4.408800      -1.115900      -1.502900    
 C  -0.7550000       3.126800     -0.8908000    
 C   -4.494500      -2.491000      0.4816000    
 C   -1.469800       3.990400     -6.0600001E-02
 C   -5.030000      -2.111500     -0.7492000    
 H    2.925900      0.2098000       2.299000    
 H    2.706300       1.616600      0.2516000    
 H    4.478300       1.449600      0.5044000    
 H    2.708000      -1.789600      -1.348500    
 H    1.613700     -0.3849000      -1.447100    
 H    2.103800      -2.029100      0.9575000    
 H    5.760800      7.5800002E-02 -0.9268000    
 H    5.017300      -1.204200      -1.920800    
 H    4.341800      -1.849500       2.241400    
 H    5.308500     -0.4067000       1.962000    
 H    6.082000      -1.964800      0.3402000    
 H    4.473200      -2.541100     -1.6799999E-02
 H    4.408200       1.685400      -2.153500    
 H    3.562500      0.3818000      -3.062000    
 H    2.617000       1.583700      -2.118500    
 H   -1.483400     -0.3342000       1.810700    
 H   -2.752700       1.723100       2.118900    
 H   -2.785100      0.2520000      -1.651700    
 H  -0.2131000       1.106000      -1.314800    
 H   -2.926900      -2.178900       1.916700    
 H   -2.744400       4.154600       1.667900    
 H   -4.822900     -0.8249000      -2.463900    
 H  -0.2003000       3.522100      -1.736800    
 H   -4.977800      -3.267000       1.067900    
 H   -1.468400       5.058400     -0.2580000    
 H   -5.929800      -2.592500      -1.121400    


%chk=000050662-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050662

1 1
O 0.864693 -0.608345 0.764400
O -0.138549 -1.224857 -1.238453
N 3.901262 0.420827 -0.415655
C 3.185914 -1.032662 1.330669
C 3.670039 0.412082 1.111267
C 2.629811 -0.285197 -0.960438
C 2.121448 -1.172895 0.211687
C 5.162682 -0.427006 -0.718216
C 4.367800 -2.016987 1.140865
C 4.978923 -1.892083 -0.278727
C 4.062747 1.819843 -0.976912
C -0.253737 -0.695488 -0.113135
C -1.465004 -0.004583 0.498117
C -1.554565 1.429846 -0.067139
C -2.743851 -0.840377 0.318918
C -1.945804 2.476476 0.805618
C -3.389989 -0.965303 -0.935179
C -1.293003 1.730690 -1.429258
C -3.283126 -1.509404 1.445741
C -2.082122 3.798080 0.327533
C -4.557484 -1.749549 -1.057319
C -1.426256 3.055391 -1.905874
C -4.453726 -2.291551 1.324363
C -1.820609 4.092986 -1.030995
C -5.093393 -2.414231 0.070410
H 2.713481 -1.157792 2.317232
H 2.884830 1.151885 1.339777
H 4.607533 0.676654 1.624654
H 2.887523 -0.847147 -1.869569
H 1.896857 0.495808 -1.215800
H 1.939303 -2.211715 -0.108359
H 5.991884 0.061716 -0.177126
H 5.352395 -0.348402 -1.802450
H 4.033333 -3.055561 1.308294
H 5.132559 -1.801508 1.910786
H 5.968242 -2.381366 -0.317587
H 4.349146 -2.427913 -1.012459
H 4.974321 2.275703 -0.559865
H 4.144465 1.764138 -2.073636
H 3.184363 2.423101 -0.700196
H -1.261758 0.078412 1.580262
H -2.163511 2.253633 1.857046
H -2.992013 -0.449256 -1.814353
H -1.003657 0.933378 -2.124219
H -2.792329 -1.416274 2.422974
H -2.397771 4.593948 1.010589
H -5.052465 -1.839023 -2.030295
H -1.238203 3.273546 -2.963106
H -4.865239 -2.798956 2.203406
H -1.932970 5.116639 -1.403625
H -6.002016 -3.017852 -0.026961


