%chk=000137459.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000137459

0 1
 O   0.5115000       2.103600      0.2356000    
 O    3.131700      0.5608000      -1.659300    
 O   -2.238300      -2.445100      6.5800004E-02
 N    1.865200     -0.1993000      0.7443000    
 C   0.5307000     -0.2465000      0.4609000    
 C    2.816500      -1.074300      7.1699999E-02
 C   -1.600600       1.071500     -0.1051000    
 C  -0.1349000       1.058000      0.2017000    
 C   -2.301500     -7.5599998E-02 -0.1687000    
 C  -0.1893000      -1.369900      0.4052000    
 C   -1.628500      -1.379700      9.5399998E-02
 C    2.371500      0.5391000       1.893800    
 C    2.805400     -0.8030000      -1.423000    
 C   -2.177100       2.447500     -0.3070000    
 C   -3.762100     -0.1870000     -0.5113000    
 H    2.596300      -2.128000      0.2763000    
 H    3.828300     -0.8814000      0.4508000    
 H   0.2613000      -2.338900      0.5978000    
 H    1.572900       1.032600       2.459200    
 H    3.081500       1.305400       1.565900    
 H    2.885700     -0.1377000       2.585100    
 H    1.830700      -1.011600      -1.875100    
 H    3.554300      -1.427200      -1.921000    
 H   -1.847200       2.857300      -1.267200    
 H   -1.846000       3.123700      0.4893000    
 H   -3.268700       2.470300     -0.2840000    
 H   -4.342500     -0.4266000      0.3855000    
 H   -3.925000     -0.9804000      -1.249600    
 H   -4.175800      0.7221000     -0.9531000    
 H    3.125500      0.6926000      -2.622700    


%chk=000137459-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000137459

0 1
O 0.056209 2.070822 1.388133
O 4.278628 -0.428711 -1.231720
O -2.094240 -2.185802 -1.267429
N 1.825684 -0.002024 0.522547
C 0.469310 -0.040456 0.241225
C 2.630863 -1.226987 0.338816
C -1.862331 1.097348 0.329668
C -0.414762 1.116834 0.686063
C -2.422297 0.008030 -0.303912
C -0.146484 -1.131363 -0.379731
C -1.563684 -1.174669 -0.673760
C 2.589920 1.207499 0.922867
C 3.193683 -1.412615 -1.081185
C -2.681112 2.306123 0.730564
C -3.887903 -0.067161 -0.651929
H 2.023153 -2.108180 0.611282
H 3.487608 -1.185571 1.034916
H 0.412973 -2.005951 -0.719992
H 2.192365 2.106957 0.432547
H 3.632749 1.055443 0.603899
H 2.538158 1.375803 2.013646
H 2.399147 -1.255234 -1.837317
H 3.585888 -2.447569 -1.177883
H -3.103428 2.812840 -0.158421
H -2.058364 3.026223 1.283017
H -3.536103 2.015993 1.369780
H -4.519652 0.012986 0.253867
H -4.100551 -1.024067 -1.153594
H -4.184484 0.765356 -1.318710
H 4.590554 -0.409597 -2.170055


