%chk=000018504.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018504

0 1
 O  -0.5736000       1.529900     -4.8000002E-03
 O   -4.695300     -0.6009000     -6.0000003E-04
 N   -2.829800      0.8414000     -3.9999999E-04
 N   -2.482100      -1.372500      7.9999998E-04
 C   -1.249800     -0.7861000      7.9999998E-04
 C   -1.453000      0.6873000     -2.7999999E-03
 C    1.248000     -0.8236000      1.8000000E-03
 C  -7.3700003E-02  -1.410300      2.7000001E-03
 C   -3.489400     -0.3933000     -2.2000000E-03
 C    1.893200     -0.5398000      -1.206700    
 C    1.893500     -0.5356000       1.209300    
 C   -3.501500       2.125300      3.8999999E-03
 C    3.806300      0.3100000     -3.0000001E-04
 C    3.168500      2.5200000E-02  -1.207800    
 C    3.168800      2.9500000E-02   1.208200    
 C    5.170100      0.9135000     -1.8000000E-03
 H  -6.7400001E-02  -2.499600      4.9999999E-03
 H   -2.637500      -2.373700      2.4999999E-03
 H    1.410500     -0.7560000      -2.157100    
 H    1.410900     -0.7484000       2.160500    
 H   -2.779700       2.944900      2.7799999E-02
 H   -4.157600       2.173100      0.8777000    
 H   -4.122100       2.195500     -0.8940000    
 H    3.655700      0.2373000      -2.155800    
 H    3.656100      0.2451000       2.155400    
 H    5.323200       1.546400      0.8788000    
 H    5.929500      0.1254000     -3.7000000E-03
 H    5.320400       1.548000     -0.8819000    


%chk=000018504-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000018504

0 1
O -0.676427 1.636181 -0.000104
O -4.822053 -0.612493 0.003992
N -2.916119 0.837841 0.000661
N -2.559893 -1.380504 0.003746
C -1.267980 -0.800202 0.002703
C -1.505239 0.693283 0.001791
C 1.274895 -0.821849 0.001711
C -0.075144 -1.462346 0.002878
C -3.583683 -0.418381 0.003079
C 1.939994 -0.534762 -1.217521
C 1.942522 -0.535924 1.219799
C -3.619319 2.121237 -0.002113
C 3.905015 0.322872 -0.000494
C 3.232326 0.032324 -1.214792
C 3.234860 0.031199 1.214906
C 5.306385 0.909729 -0.001754
H -0.100579 -2.564086 0.003932
H -2.767393 -2.377141 0.004762
H 1.435460 -0.739755 -2.168533
H 1.439977 -0.741771 2.171681
H -2.855042 2.914850 0.020986
H -4.273620 2.206498 0.881658
H -4.236378 2.225335 -0.910566
H 3.722697 0.259309 -2.169551
H 3.727205 0.257310 2.168850
H 5.484942 1.531199 0.893470
H 6.073901 0.111042 -0.006132
H 5.480889 1.537002 -0.893743


