%chk=000077720.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077720

0 1
 O   -1.586900       2.166100      0.2698000    
 O   -2.949900      -1.631600     -0.4217000    
 O   -3.463500      0.2450000      0.8087000    
 O    3.856000      -1.630700     -9.7800002E-02
 N    2.911100      0.5265000      1.4900000E-02
 C    1.538500      0.2843000      7.0799999E-02
 C   -1.206700     -0.2006000      0.1815000    
 C  -0.7286000       1.109700      0.1995000    
 C   0.6440000       1.352100      0.1442000    
 C    1.060400      -1.026000      5.2800000E-02
 C  -0.3122000      -1.268300      0.1084000    
 C   -2.635600     -0.4755000      0.2378000    
 C    3.952400     -0.4083000     -6.1700001E-02
 C   -2.051800       2.706000     -0.9654000    
 C    5.303100      0.2614000     -0.1035000    
 C   -4.330500      -2.010200     -0.4382000    
 H    1.010000       2.376200      0.1593000    
 H    1.690600      -1.902900      1.0000000E-03
 H  -0.6529000      -2.300500      0.1068000    
 H    3.180000       1.508200      3.2699998E-02
 H   -2.561700       1.941000      -1.559400    
 H   -1.217300       3.127500      -1.534800    
 H   -2.762600       3.506600     -0.7432000    
 H    5.376500      0.8891000     -0.9960000    
 H    6.091400     -0.4958000     -0.1354000    
 H    5.439800      0.8776000      0.7896000    
 H   -4.926400      -1.240500     -0.9375000    
 H   -4.688400      -2.174700      0.5823000    
 H   -4.420700      -2.944600     -0.9984000    


%chk=000077720-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000077720

0 1
O -1.275524 2.447409 0.042949
O -2.962811 -1.635155 -0.548958
O -3.498379 0.347383 0.538277
O 3.961035 -1.654457 -0.229260
N 3.053750 0.492995 0.074899
C 1.658785 0.246974 -0.032882
C -1.183808 -0.082828 -0.172556
C -0.608445 1.224140 -0.027228
C 0.796451 1.362455 0.059216
C 1.108515 -1.049560 -0.247748
C -0.283471 -1.182643 -0.312618
C -2.631178 -0.372067 -0.024636
C 4.114799 -0.417082 -0.019703
C -2.506906 2.696797 -0.731084
C 5.499015 0.204905 0.154307
C -4.365318 -2.054978 -0.336772
H 1.188499 2.379838 0.170928
H 1.769977 -1.910838 -0.341696
H -0.720359 -2.175759 -0.444275
H 3.312279 1.467004 0.247642
H -3.389912 2.393387 -0.149217
H -2.484243 2.146400 -1.690801
H -2.502426 3.782101 -0.918622
H 6.104457 -0.016351 -0.741326
H 6.000693 -0.274593 1.012528
H 5.487114 1.296934 0.314938
H -5.056144 -1.356715 -0.839013
H -4.602052 -2.079850 0.740487
H -4.426293 -3.058744 -0.780674


