%chk=000130500.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130500

1 1
 O   0.7980000      0.2662000      -1.029300    
 N    2.242500       1.402700      0.3852000    
 N    2.710800     -0.8519000     -0.4998000    
 N  -0.2544000     -0.2620000     -0.2336000    
 N   2.6100000E-02  -1.162900      0.6950000    
 N   -1.130900      -1.469700       1.271600    
 C    1.975000      0.2882000     -0.3544000    
 C   -1.552900      6.4000003E-02 -0.3206000    
 C   -2.114800     -0.7320000      0.6681000    
 C    1.359600       2.582300      0.4620000    
 C    3.493000       1.521300       1.177800    
 C    2.628500      -1.614900      -1.774300    
 C    3.538000      -1.459600      0.5581000    
 C   -2.289800      0.9345000      -1.120900    
 C   -3.497600     -0.6767000      0.8951000    
 C   -3.668200      0.9802000     -0.8844000    
 C   -4.263000      0.1904000      0.1044000    
 H   0.6825000       2.617100     -0.3955000    
 H    1.954300       3.500500      0.4500000    
 H   0.7782000       2.529700       1.386300    
 H    4.342800       1.190800      0.5760000    
 H    3.398600      0.9310000       2.091800    
 H    3.670100       2.564100       1.458700    
 H    1.828800      -2.356000      -1.694500    
 H    3.582200      -2.118000      -1.960200    
 H    2.430900     -0.9333000      -2.606900    
 H    3.530600      -2.548900      0.4497000    
 H    3.123400      -1.222300       1.540600    
 H    4.565700      -1.099900      0.4706000    
 H   -1.825400       1.545700      -1.885900    
 H   -3.967700      -1.285800       1.660200    
 H   -4.288700       1.643700      -1.482000    
 H   -5.336700      0.2496000      0.2630000    


%chk=000130500-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000130500

1 1
O 0.643659 1.156244 -0.123657
N 2.740199 1.541299 0.741566
N 2.310579 -0.546204 -0.370008
N -0.367893 0.191141 0.247705
N -0.281649 -0.448171 1.533160
N -1.461461 -1.035126 1.718037
C 1.946990 0.662903 0.099757
C -1.635204 0.103270 -0.315006
C -2.322886 -0.724360 0.634816
C 2.182181 2.596352 1.634127
C 4.211543 1.578611 0.538641
C 1.588987 -1.188714 -1.500023
C 3.307167 -1.400159 0.330967
C -2.250328 0.594442 -1.486167
C -3.669737 -1.102438 0.419209
C -3.593708 0.215395 -1.675656
C -4.291414 -0.619606 -0.744883
H 1.159396 2.338668 1.940405
H 2.174822 3.570832 1.116990
H 2.821126 2.664355 2.530369
H 4.495888 0.990634 -0.346265
H 4.744787 1.196438 1.426189
H 4.509039 2.628055 0.374697
H 0.855215 -1.924326 -1.127452
H 2.329489 -1.706489 -2.132161
H 1.071987 -0.432688 -2.109658
H 2.857829 -2.396821 0.479874
H 3.543428 -0.981440 1.319772
H 4.230618 -1.508153 -0.263266
H -1.730276 1.241895 -2.196945
H -4.191538 -1.740136 1.137949
H -4.125337 0.573613 -2.563119
H -5.333997 -0.881217 -0.948061


