%chk=000027698.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027698

0 1
 O    5.341800     -0.5781000     -0.2702000    
 N   -1.176300      -3.524200     -5.2400000E-02
 C   -1.083600     -1.6400000E-02 -1.0700000E-02
 C  -0.5462000       1.368000     -1.4000000E-02
 C   -2.551000     -0.2392000      4.4000000E-02
 C  -0.2355000      -1.095200     -5.7399999E-02
 C    1.211600     -0.9610000     -0.1129000    
 C  -0.2571000       1.975000       1.190800    
 C   -3.258000     -0.3237000      -1.137700    
 C  -0.3510000       2.003400      -1.223100    
 C   -3.160700     -0.3565000       1.276000    
 C    1.858200     -0.8809000      -1.346200    
 C    1.953000     -0.9128000       1.067700    
 C    3.246200     -0.7527000      -1.398900    
 C    3.340900     -0.7846000       1.014900    
 C    3.987600     -0.7047000     -0.2184000    
 C   0.2496000       3.274500       1.186400    
 C   -4.635800     -0.5350000      -1.085100    
 C   0.1557000       3.303000      -1.227400    
 C   -4.538500     -0.5678000       1.328600    
 C   0.4560000       3.938600     -2.2600001E-02
 C   -5.276000     -0.6570000      0.1481000    
 C  -0.7688000      -2.437500     -5.3900000E-02
 C    6.038000     -0.5353000      0.9745000    
 H  -0.4124000       1.467700       2.138800    
 H   -2.770100     -0.2317000      -2.104000    
 H  -0.5799000       1.518500      -2.167900    
 H   -2.596800     -0.2902000       2.202200    
 H    1.295300     -0.9172000      -2.276000    
 H    1.463500     -0.9744000       2.036900    
 H    3.744300     -0.6902000      -2.362600    
 H    3.855000     -0.7531000       1.969500    
 H   0.4840000       3.769100       2.124500    
 H   -5.210000     -0.6049000      -2.004300    
 H   0.3171000       3.819800      -2.168900    
 H   -5.036900     -0.6633000       2.288800    
 H   0.8509000       4.950300     -2.6100000E-02
 H   -6.348700     -0.8218000      0.1891000    
 H    5.919500      -1.469300       1.534100    
 H    5.752500      0.3418000       1.565200    
 H    7.103800     -0.4331000      0.7454000    


%chk=000027698-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000027698

0 1
O 5.514661 -1.150237 -0.104528
N -1.126061 -3.485561 -1.004618
C -1.081465 -0.027653 -0.073427
C -0.591340 1.385545 -0.049550
C -2.546619 -0.229116 0.122246
C -0.223274 -1.102980 -0.312741
C 1.269197 -1.068857 -0.247271
C -1.049228 2.291671 0.947217
C -3.481842 0.668624 -0.469027
C 0.286379 1.873502 -1.058059
C -3.047465 -1.299948 0.915282
C 2.052561 -1.870926 -1.127668
C 1.950834 -0.296426 0.729878
C 3.454280 -1.871661 -1.060480
C 3.357122 -0.291673 0.815360
C 4.116349 -1.076722 -0.090387
C -0.618172 3.635868 0.954743
C -4.868769 0.483417 -0.297267
C 0.705175 3.219488 -1.058567
C -4.434489 -1.478229 1.095113
C 0.261328 4.106092 -0.048007
C -5.352451 -0.591424 0.485775
C -0.765484 -2.395080 -0.662237
C 6.248930 -0.358407 0.886920
H -1.739294 1.935321 1.720061
H -3.114454 1.501899 -1.077734
H 0.627580 1.192727 -1.844658
H -2.345900 -1.981695 1.407572
H 1.553715 -2.500468 -1.872915
H 1.374518 0.300878 1.442925
H 4.056576 -2.482072 -1.739729
H 3.843577 0.311343 1.587694
H -0.971816 4.315836 1.737739
H -5.572213 1.174739 -0.774397
H 1.372745 3.579444 -1.849255
H -4.797994 -2.306874 1.712445
H 0.589615 5.151524 -0.048359
H -6.430214 -0.732956 0.623132
H 5.993240 -0.668544 1.918517
H 6.050816 0.723937 0.763313
H 7.310547 -0.566449 0.689749


