%chk=000020680.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020680

0 1
 O   -1.787800      -1.913200      0.5972000    
 N  -0.9841000     -7.8599997E-02 -6.4300001E-02
 N   -1.894900      -1.017500     -0.2490000    
 C    1.440400      0.1218000      0.2338000    
 C   0.3101000     -0.3628000     -0.6726000    
 C    2.808500     -0.1860000     -0.3761000    
 C   -1.467800       1.235900     -0.5099000    
 C    3.938600      0.3249000      0.5034000    
 C   -2.363100       1.875500      0.5376000    
 H    1.363300     -0.3619000       1.216000    
 H    1.356600       1.202600      0.4015000    
 H   0.3978000      6.4999998E-02  -1.681100    
 H   0.4519000      -1.446300     -0.8035000    
 H    2.887900      0.2782000      -1.366100    
 H    2.920600      -1.267600     -0.5145000    
 H  -0.6275000       1.928200     -0.6543000    
 H   -1.984800       1.180400      -1.478100    
 H    4.906900      9.2799999E-02  4.9199998E-02
 H    3.875500       1.410100      0.6327000    
 H    3.906900     -0.1418000       1.493100    
 H   -3.275900       1.293600      0.7020000    
 H   -1.842000       1.975600       1.496000    
 H   -2.662500       2.878000      0.2143000    


%chk=000020680-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000020680

0 1
O -0.938100 -2.317303 0.175450
N -1.147485 -0.168009 -0.450002
N -1.736008 -1.306209 0.072539
C 1.276231 0.024490 0.282068
C 0.269039 -0.151395 -0.881167
C 2.736105 -0.007256 -0.224438
C -2.045378 0.992421 -0.607122
C 3.759768 0.165998 0.918162
C -1.645468 2.204141 0.259599
H 1.118316 -0.788559 1.014633
H 1.083816 0.981492 0.805396
H 0.383578 0.660955 -1.622589
H 0.467644 -1.120196 -1.379822
H 2.884869 0.791691 -0.980191
H 2.920459 -0.969195 -0.743833
H -2.070407 1.284587 -1.675960
H -3.051015 0.631489 -0.329638
H 4.797002 0.140500 0.537244
H 3.614404 1.130639 1.439992
H 3.654716 -0.640208 1.667848
H -1.634948 1.935110 1.329924
H -0.647492 2.590694 -0.013710
H -2.375046 3.021024 0.112917


