%chk=000019420.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019420

0 1
 O    5.663100      -1.165500     -0.2389000    
 O    5.667800       1.000000     -0.6240000    
 N    5.067700     -6.7699999E-02 -0.3540000    
 N   -1.459700      0.4996000       2.757900    
 C   0.9152000      3.7099998E-02  0.1821000    
 C  -0.5481000      7.4000001E-02  0.3714000    
 C   -2.873700     -0.1019000     -0.5725000    
 C    1.582700      -1.169200      0.3066000    
 C    1.588100       1.209600     -0.1156000    
 C   -1.421300     -0.1119000     -0.6510000    
 C    3.659900     -3.2200001E-02 -0.1722000    
 C    2.965700      -1.204200      0.1282000    
 C    2.971000       1.174600     -0.2942000    
 C   -3.567400      -1.287800     -0.3315000    
 C   -3.572900       1.093600     -0.7386000    
 C   -4.960200      -1.278100     -0.2563000    
 C   -4.965700       1.103400     -0.6633000    
 C   -5.659400     -8.2400002E-02 -0.4220000    
 C   -1.052800      0.3089000       1.687900    
 H    1.052900      -2.088900      0.5403000    
 H    1.062600       2.155900     -0.2133000    
 H   -1.033000     -0.2936000      -1.652200    
 H    3.468600      -2.162300      0.2309000    
 H    3.478300       2.107300     -0.5273000    
 H   -3.036800      -2.227900     -0.2004000    
 H   -3.046600       2.026300     -0.9277000    
 H   -5.500500      -2.201300     -6.8700001E-02
 H   -5.510100       2.034300     -0.7925000    
 H   -6.743900     -7.4900001E-02 -0.3633000    


%chk=000019420-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000019420

0 1
O 5.561236 -1.641476 -0.329527
O 5.965421 0.599434 -0.165099
N 5.167315 -0.415710 -0.211033
N -1.138267 3.025755 0.943365
C 0.930651 0.321281 0.032586
C -0.533012 0.600889 0.101758
C -2.953844 -0.281579 -0.276208
C 1.439018 -1.007384 -0.076729
C 1.865472 1.396783 0.083879
C -1.491159 -0.327842 -0.275642
C 3.712170 -0.160438 -0.124470
C 2.817966 -1.254140 -0.160065
C 3.249346 1.166501 0.002856
C -3.627556 -1.439527 -0.778931
C -3.752043 0.811521 0.183947
C -5.032272 -1.508324 -0.824873
C -5.157119 0.738376 0.136871
C -5.805475 -0.415841 -0.365874
C -0.890677 1.918890 0.559825
H 0.758729 -1.864219 -0.066735
H 1.501925 2.424912 0.179966
H -1.092184 -1.275532 -0.661971
H 3.216378 -2.268859 -0.238906
H 3.970164 1.987392 0.034908
H -3.032434 -2.289420 -1.136146
H -3.283115 1.715597 0.577450
H -5.524036 -2.405595 -1.214868
H -5.751727 1.585880 0.494031
H -6.899373 -0.462525 -0.398562


