%chk=000087116.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087116

0 1
 O    3.061100     -0.9221000      0.8688000    
 O   -3.019700     -0.9614000     -0.8697000    
 O    2.894900      -1.096800      -1.433600    
 O   -2.950700      -1.041200       1.442900    
 N  -3.5000001E-03   2.045500     -2.3200000E-02
 C  -3.9999999E-04 -0.7736000      4.0899999E-02
 C    1.256600      4.9600001E-02 -0.1612000    
 C   -1.260200      5.5000000E-02  0.1947000    
 C    1.213800       1.400200     -0.1824000    
 C   -1.219300       1.405200      0.1624000    
 C    2.393100       2.318300     -0.3557000    
 C   -2.397400       2.326500      0.3253000    
 C    2.492800     -0.7228000     -0.3458000    
 C   -2.503000     -0.7114000      0.3586000    
 C    4.284300      -1.665400      0.8546000    
 C   -4.242400      -1.705500     -0.8765000    
 H  -0.1217000      -1.446900     -0.8173000    
 H   0.1236000      -1.395200      0.9366000    
 H  -3.5999999E-03   3.059200     -3.8899999E-02
 H    2.494300       2.974300      0.5156000    
 H    2.259600       2.942700      -1.245500    
 H    3.336000       1.776000     -0.4715000    
 H   -3.336000       1.787400      0.4830000    
 H   -2.519000       2.947300     -0.5688000    
 H   -2.246900       2.985900       1.186700    
 H    4.637800      -1.757800       1.884900    
 H    5.042000      -1.135900      0.2691000    
 H    4.113700      -2.667900      0.4504000    
 H   -4.552500      -1.840400      -1.916100    
 H   -5.024100      -1.154000     -0.3454000    
 H   -4.088900      -2.690300     -0.4249000    


%chk=000087116-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000087116

0 1
O 3.487417 -0.419866 0.148589
O -2.741480 -1.670875 -0.436451
O 2.052887 -2.220058 -0.228658
O -3.936226 0.311254 -0.206707
N 0.050295 2.118144 0.265148
C -0.282737 -0.690916 -0.170331
C 1.085462 -0.028500 0.024070
C -1.460447 0.283834 -0.084978
C 1.212662 1.332357 0.228603
C -1.262020 1.635132 0.123573
C 2.491574 2.119982 0.430847
C -2.312907 2.718577 0.225785
C 2.200103 -0.980640 -0.033431
C -2.815909 -0.276870 -0.236063
C 4.595983 -1.398421 0.087693
C -4.041975 -2.353536 -0.599807
H -0.301678 -1.222910 -1.140855
H -0.408619 -1.501232 0.572422
H 0.163254 3.121144 0.415866
H 3.039325 1.761779 1.317380
H 2.277602 3.197808 0.555153
H 3.175889 1.989144 -0.422437
H -3.319068 2.289088 0.135456
H -2.172805 3.469192 -0.576763
H -2.231598 3.244514 1.197144
H 5.506926 -0.800983 0.239807
H 4.611838 -1.904914 -0.892322
H 4.483875 -2.159519 0.878599
H -3.785077 -3.413049 -0.741198
H -4.580465 -1.953640 -1.475907
H -4.667782 -2.211521 0.297770


