%chk=000028927.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028927

0 1
 O   0.3099000      0.5925000       1.926100    
 O    2.909000      -2.859500      0.4862000    
 O   -1.142500      -2.233700      -1.529200    
 N  -0.5111000     -0.6632000      0.1134000    
 N   0.8045000      -2.570600     -0.4039000    
 C    1.877000     -0.7078000      0.7038000    
 C    2.527400      0.1542000     -0.3747000    
 C    2.538300       1.630800      1.9500000E-02
 C   0.4869000     -0.1869000      0.9875000    
 C    1.923900      -2.150900      0.2898000    
 C    3.220800       2.486100      -1.047700    
 C  -0.3606000      -1.843100     -0.6580000    
 C   -1.769300      5.0600000E-02  6.6000000E-02
 C    3.263700       3.951300     -0.6441000    
 C   -1.794400       1.416500      0.3202000    
 C   -2.938500     -0.6385000     -0.2318000    
 C   -3.007400       2.103800      0.2758000    
 C   -4.151500      4.8700001E-02 -0.2763000    
 C   -4.186000       1.419900     -2.2600001E-02
 H    2.446300     -0.6313000       1.639900    
 H    1.999800      3.9099999E-02  -1.330600    
 H    3.555700     -0.1885000     -0.5477000    
 H    1.520300       2.011200      0.1478000    
 H    3.058300       1.753500      0.9773000    
 H    2.686800       2.389600      -2.000300    
 H    4.244600       2.130100      -1.211800    
 H   0.8582000      -3.493400     -0.8262000    
 H    3.819900       4.085100      0.2892000    
 H    2.253700       4.349100     -0.5026000    
 H    3.756400       4.544100      -1.421100    
 H  -0.9000000       2.003000      0.5000000    
 H   -2.986000      -1.713800     -0.3610000    
 H   -3.033300       3.173700      0.4613000    
 H   -5.072100     -0.4860000     -0.4916000    
 H   -5.130500       1.954800     -5.6100000E-02


%chk=000028927-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028927

0 1
O 0.094302 0.837200 1.582079
O 2.911195 -2.737977 0.146309
O -1.423702 -2.395272 -1.467624
N -0.684231 -0.677024 -0.026593
N 0.740484 -2.506838 -0.637993
C 1.764727 -0.611572 0.564280
C 2.540264 0.338173 -0.429647
C 2.833534 1.737080 0.151266
C 0.345340 -0.098584 0.783520
C 1.872370 -2.036375 0.045021
C 3.576175 2.637221 -0.864051
C -0.518794 -1.880704 -0.767737
C -2.008674 -0.059185 -0.021606
C 3.911950 4.027735 -0.283321
C -2.151467 1.261101 -0.499179
C -3.120661 -0.776641 0.468094
C -3.424340 1.870430 -0.484076
C -4.392263 -0.163889 0.472932
C -4.546727 1.159452 -0.000276
H 2.286789 -0.563390 1.535595
H 1.967663 0.426867 -1.375090
H 3.493543 -0.169611 -0.671623
H 1.895121 2.229031 0.469334
H 3.450655 1.628572 1.066285
H 2.953263 2.756162 -1.774283
H 4.510450 2.135562 -1.188760
H 0.813534 -3.419773 -1.099537
H 4.563289 3.938444 0.606141
H 2.993867 4.561168 0.026515
H 4.436479 4.657827 -1.024507
H -1.277415 1.807118 -0.868181
H -2.996451 -1.802087 0.829078
H -3.538788 2.896121 -0.850328
H -5.258974 -0.719097 0.846688
H -5.534306 1.633254 0.007774


