%chk=000076034.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076034

0 1
 O    3.160600      -1.195900      0.2803000    
 O    2.547600       1.392300      -1.196000    
 O   -3.158700      -1.202600     -0.2865000    
 O   -2.548300       1.398900       1.192300    
 O  -1.5000000E-03  -1.881300      4.4000000E-03
 N    1.177900      8.6800002E-02  0.2263000    
 N   -1.178400      8.8200003E-02 -0.2238000    
 C  -1.1000000E-03 -0.6432000      3.1999999E-03
 C    2.254500     -0.4344000       1.063800    
 C    1.388200       1.411600     -0.3715000    
 C   -2.253600     -0.4335000      -1.063300    
 C   -1.387200       1.413000      0.3709000    
 H    2.786800      0.3856000       1.554300    
 H    1.829800      -1.094000       1.827100    
 H    1.530500       2.149000      0.4240000    
 H   0.5727000       1.699800      -1.033700    
 H   -1.823900      -1.093300      -1.823100    
 H   -2.784600      0.3846000      -1.559300    
 H   -1.531100       2.151600     -0.4227000    
 H  -0.5738000       1.713100       1.030700    
 H    2.627100      -1.820000     -0.2402000    
 H    2.665200       2.292500      -1.544400    
 H   -3.472200     -0.6295000      0.4328000    
 H   -2.419300      0.6918000       1.847100    


%chk=000076034-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000076034

0 1
O 3.065790 -0.935159 -0.006308
O 2.194567 1.339321 -1.499038
O -3.145547 -1.218112 -0.338829
O -2.773156 1.065701 1.311769
O 0.300437 -1.613729 -0.327992
N 1.099128 0.441448 0.507086
N -1.151715 0.227512 -0.305416
C 0.079768 -0.389864 -0.064320
C 2.227691 -0.342066 1.051916
C 1.540180 1.653774 -0.238017
C -2.164619 -0.487598 -1.121866
C -1.637264 1.400443 0.424467
H 2.893927 0.336616 1.605442
H 1.829423 -1.127380 1.716338
H 2.212064 2.214602 0.443671
H 0.681007 2.282336 -0.511539
H -1.645008 -1.240485 -1.728762
H -2.652424 0.275095 -1.764345
H -2.073917 2.134942 -0.271588
H -0.812915 1.844884 1.003799
H 2.512311 -1.659344 -0.411811
H 2.880735 0.634494 -1.316634
H -3.611510 -0.557315 0.242386
H -2.441754 0.550983 2.092290


