%chk=000004888.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004888

0 1
 O    1.843100      -1.462500     -0.2337000    
 O   -5.513200      0.9453000     -0.5065000    
 O   -3.503400       1.200400      -1.522300    
 N    4.074100     -0.9462000     -0.3082000    
 C   0.1065000      0.1936000      0.2145000    
 C    1.103700       1.305000      0.3500000    
 C   -2.195200     -0.5747000      0.2438000    
 C   -3.649200     -0.2863000      0.4102000    
 C   0.5251000      -1.109800     -6.5700002E-02
 C   -1.261500      0.4545000      0.3685000    
 C    2.512800      0.8403000      0.1529000    
 C   -1.769600      -1.871600     -3.5799999E-02
 C  -0.4105000      -2.140400     -0.1907000    
 C    2.812300     -0.4897000     -0.1236000    
 C   -4.023300      0.2576000       1.803900    
 C    3.577500       1.740800      0.2424000    
 C   -4.185500      0.6884000     -0.6441000    
 C    4.881700       1.298800      5.7700001E-02
 C    5.074700     -4.3200001E-02 -0.2133000    
 H   0.8773000       2.075900     -0.3966000    
 H    1.011800       1.742100       1.351700    
 H   -4.212200      -1.217500      0.2574000    
 H   -1.585400       1.469500      0.5877000    
 H   -2.483000      -2.685200     -0.1362000    
 H  -8.6599998E-02  -3.154800     -0.4086000    
 H   -3.622200     -0.3889000       2.592300    
 H   -3.630100       1.268100       1.962500    
 H   -5.109900      0.3045000       1.933800    
 H    3.393100       2.790200      0.4566000    
 H    5.718900       1.983900      0.1237000    
 H    6.072200     -0.4418000     -0.3663000    
 H   -5.835700       1.574200      -1.186800    


%chk=000004888-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004888

0 1
O 1.809402 -1.470748 -0.265200
O -4.931177 0.325660 -1.509316
O -4.044077 2.091164 -0.292494
N 4.057675 -0.988039 -0.347735
C 0.065340 0.247394 0.207549
C 1.091288 1.367904 0.294139
C -2.280563 -0.524613 0.299901
C -3.770320 -0.234498 0.539693
C 0.460478 -1.084073 -0.066998
C -1.311944 0.503372 0.389904
C 2.517644 0.875182 0.104776
C -1.849797 -1.844539 0.014303
C -0.482239 -2.127577 -0.165871
C 2.816240 -0.488669 -0.163794
C -4.051414 0.188192 2.005450
C 3.625302 1.748716 0.180712
C -4.238445 0.860818 -0.415600
C 4.937850 1.259521 -0.006151
C 5.103501 -0.118865 -0.269245
H 0.862173 2.139818 -0.468785
H 1.003096 1.879900 1.273630
H -4.344382 -1.145113 0.298470
H -1.637101 1.532233 0.590710
H -2.585144 -2.652889 -0.068175
H -0.126773 -3.138605 -0.383993
H -3.684691 -0.590303 2.696099
H -3.540832 1.137172 2.241161
H -5.133671 0.329868 2.177017
H 3.455120 2.812571 0.385621
H 5.806089 1.922056 0.049030
H 6.096653 -0.554544 -0.423604
H -5.186981 1.062031 -2.130003


