%chk=000045030.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045030

0 1
 O  -0.5243000       1.099500      0.5414000    
 O   -3.697800       1.337800     -0.6437000    
 N   -3.787300      0.6701000       1.548400    
 C   3.7999999E-02  -1.130400     -0.1266000    
 C  -0.9152000     -0.1449000      0.1364000    
 C    1.451500     -0.8599000      2.1400001E-02
 C   -2.272800     -0.4279000     -1.2600000E-02
 C  -0.3710000      -2.399800     -0.5391000    
 C   -2.679500      -1.697000     -0.4248000    
 C   -1.728700      -2.682900     -0.6880000    
 C    2.184700     -0.3719000      -1.060200    
 C    2.081300      -1.087500       1.245100    
 C   -3.284500      0.5855000      0.2544000    
 C    3.547700     -0.1113000     -0.9181000    
 C    3.444200     -0.8269000       1.387000    
 C  -0.2845000       2.063900     -0.4795000    
 C    4.177400     -0.3388000      0.3055000    
 C   0.7190000       3.050200      1.8400000E-02
 C    1.901800       3.272100     -0.5654000    
 H   0.3558000      -3.181300     -0.7490000    
 H   -3.734600      -1.929700     -0.5451000    
 H   -2.045500      -3.670900      -1.009100    
 H    1.711800     -0.1936000      -2.023000    
 H    1.524400      -1.467100       2.098500    
 H    4.118700      0.2683000      -1.760400    
 H    3.934600      -1.003600       2.339800    
 H   4.1299999E-02   1.592900      -1.414400    
 H   -1.221300       2.592900     -0.6864000    
 H    5.238500     -0.1356000      0.4162000    
 H   0.4664000       3.612100      0.9138000    
 H   -3.466300      5.9000000E-02   2.292500    
 H   -4.497600       1.353500       1.788500    
 H    2.590200       4.000200     -0.1505000    
 H    2.201000       2.745300      -1.464200    


%chk=000045030-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045030

0 1
O -0.270199 1.072493 0.671521
O -3.008990 1.980618 -0.007809
N -4.143385 0.463792 1.332135
C 0.118528 -1.184186 -0.240266
C -0.772270 -0.138565 0.153710
C 1.605674 -1.040698 -0.199402
C -2.182450 -0.325547 0.112495
C -0.453709 -2.412783 -0.672562
C -2.714269 -1.567829 -0.315021
C -1.848715 -2.607566 -0.714226
C 2.400141 -1.621029 -1.227904
C 2.267749 -0.368500 0.866064
C -3.115701 0.809350 0.466210
C 3.808602 -1.536664 -1.194449
C 3.676483 -0.287970 0.899647
C 0.065725 2.121780 -0.352643
C 4.454959 -0.870660 -0.127563
C 0.178303 3.431974 0.373254
C 1.279542 4.222660 0.342030
H 0.214779 -3.235519 -0.948864
H -3.800618 -1.704116 -0.364295
H -2.258251 -3.566139 -1.049469
H 1.909928 -2.118079 -2.073322
H 1.672353 0.093390 1.657812
H 4.399072 -1.982967 -2.002583
H 4.166415 0.229912 1.731895
H 1.011148 1.841893 -0.856106
H -0.770254 2.154152 -1.076571
H 5.548311 -0.803351 -0.099430
H -0.723038 3.735634 0.921246
H -4.164719 -0.439736 1.801645
H -4.824090 1.179301 1.587500
H 1.303080 5.193113 0.850282
H 2.187268 3.924142 -0.197758


