%chk=000056234.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056234

1 1
 O    4.476900       1.503000      0.6078000    
 O    4.872100     -0.3549000     -0.6350000    
 N   -2.405900      7.9599999E-02 -0.4870000    
 N  -0.1297000     -0.6709000     -0.3099000    
 N   -1.832800       3.224800      0.7142000    
 C   -3.409300      -1.541000      0.8588000    
 C   -2.012800      -1.998700      0.4435000    
 C   -3.735200     -0.4423000     -0.1464000    
 C   -1.438800     -0.7776000     -0.1618000    
 C   0.7866000      -1.727900      0.1061000    
 C   -2.202200       1.379700      -1.111600    
 C    2.214200      -1.339400     -0.2620000    
 C    2.693400     -5.2099999E-02  0.4130000    
 C   -1.996300       2.407700     -9.3099996E-02
 C    4.120000      0.3101000      6.3299999E-02
 H   -4.144400      -2.350000      0.8653000    
 H   -3.366800      -1.109200       1.866200    
 H   -2.074500      -2.795800     -0.3054000    
 H   -1.471700      -2.367400       1.318100    
 H   -4.200300     -0.8433000      -1.052400    
 H   -4.364600      0.3400000      0.2873000    
 H   0.2097000      0.1805000     -0.7452000    
 H   0.7129000      -1.867600       1.189700    
 H   0.5195000      -2.661400     -0.4003000    
 H   -3.081700       1.617400      -1.720100    
 H   -1.348900       1.328300      -1.795600    
 H    2.288000      -1.220600      -1.350500    
 H    2.885900      -2.163800      7.3000002E-03
 H    2.635000     -0.1663000       1.501200    
 H    2.062500      0.7915000      0.1147000    
 H    5.397800       1.749300      0.3764000    


%chk=000056234-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056234

1 1
O 3.879527 1.688486 -0.077145
O 1.724959 1.133364 -0.671356
N -2.123587 0.143772 -0.481891
N 0.001390 -0.814601 -0.034756
N -1.018584 3.104489 1.022068
C -3.611379 -1.440110 0.515493
C -2.178789 -2.041174 0.405580
C -3.583200 -0.171642 -0.378468
C -1.331200 -0.866651 -0.041232
C 0.892850 -1.894894 0.468306
C -1.637485 1.446988 -0.981167
C 2.333750 -1.734331 -0.071138
C 3.162472 -0.537165 0.467707
C -1.299486 2.372510 0.124945
C 2.834265 0.810872 -0.148317
H -4.384868 -2.151060 0.189504
H -3.824707 -1.162261 1.560390
H -2.120088 -2.843717 -0.354741
H -1.820782 -2.467018 1.357067
H -3.991782 -0.350801 -1.390238
H -4.119204 0.679782 0.073427
H 0.530941 0.041857 -0.356876
H 0.899926 -1.880091 1.576449
H 0.497996 -2.875303 0.147246
H -2.424780 1.897452 -1.609762
H -0.746342 1.316522 -1.623876
H 2.317571 -1.718034 -1.176911
H 2.875203 -2.653686 0.216015
H 4.238978 -0.720025 0.307327
H 3.041656 -0.437241 1.566007
H 3.643378 2.585412 -0.443058


