%chk=000016878.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016878

0 1
 O  -0.6029000     -0.1181000     -0.1382000    
 O   0.1547000      -2.154600     -0.8981000    
 O    5.481000       1.093800      0.3223000    
 N   -4.273300      0.2046000     -3.9299998E-02
 C   -2.872200      0.5907000      0.1248000    
 C   -4.575300     -0.9782000      0.7659000    
 C   -5.154900       1.311900      0.3284000    
 C   -1.950400     -0.5421000     -0.2976000    
 C   -6.011100      -1.430300      0.5606000    
 C   -4.855200       2.550400     -0.4990000    
 C   0.3539000      -1.025900     -0.4765000    
 C    1.711700     -0.4638000     -0.2640000    
 C    2.743400      -1.319500      6.3600004E-02
 C    1.900300      0.8964000     -0.4011000    
 C    4.235800      0.5794000      0.1299000    
 C    4.019400     -0.7922000      0.2627000    
 C    3.176200       1.423700     -0.2021000    
 C    6.518900      0.1740000      0.6577000    
 H   -2.606200       1.444700     -0.5077000    
 H   -2.647300      0.8889000       1.157700    
 H   -3.977900      -1.837700      0.4509000    
 H   -4.384900     -0.8115000       1.833400    
 H   -6.199000       1.060100      0.1159000    
 H   -5.083600       1.556600       1.395800    
 H   -2.127200     -0.8130000      -1.345600    
 H   -2.065000      -1.427700      0.3328000    
 H   -6.730900     -0.7811000       1.068500    
 H   -6.271300      -1.488200     -0.5020000    
 H   -6.144900      -2.432600      0.9835000    
 H   -5.671900       3.272400     -0.3845000    
 H   -4.775100       2.318600      -1.566700    
 H   -3.944000       3.061900     -0.1738000    
 H    2.585600      -2.388500      0.1728000    
 H    1.095300       1.572900     -0.6719000    
 H    4.796500      -1.504100      0.5190000    
 H    3.339600       2.492500     -0.3101000    
 H    6.694300     -0.5463000     -0.1486000    
 H    7.440100      0.7544000      0.7736000    
 H    6.327100     -0.3165000       1.618100    


%chk=000016878-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000016878

0 1
O -0.614635 0.040121 -0.034335
O 0.095872 -1.879850 -1.151222
O 5.653860 0.880619 0.825060
N -4.342973 0.287186 0.222614
C -2.917040 0.654853 0.405442
C -4.808539 -0.716274 1.219094
C -5.247758 1.459719 0.095763
C -2.022539 -0.338031 -0.346725
C -5.983092 -1.572845 0.709511
C -5.135540 2.155727 -1.274038
C 0.372526 -0.834233 -0.508088
C 1.741771 -0.377541 -0.157515
C 2.840201 -1.175559 -0.563607
C 1.986129 0.822708 0.567018
C 4.391143 0.402058 0.464359
C 4.162233 -0.797954 -0.259345
C 3.298120 1.210696 0.875673
C 6.825275 0.089943 0.431158
H -2.742139 1.666797 0.000019
H -2.617270 0.682488 1.479630
H -3.957653 -1.386069 1.444406
H -5.086857 -0.227215 2.187302
H -6.284449 1.097893 0.220414
H -5.072106 2.203245 0.914563
H -2.183590 -0.277812 -1.436938
H -2.192177 -1.382836 -0.030137
H -6.876636 -0.960719 0.490360
H -5.695436 -2.098018 -0.217675
H -6.270863 -2.323410 1.469260
H -5.841268 3.005302 -1.335926
H -5.368163 1.440351 -2.081834
H -4.119593 2.552707 -1.453587
H 2.636863 -2.096208 -1.120804
H 1.138400 1.438074 0.879819
H 4.992996 -1.431515 -0.582912
H 3.508130 2.129339 1.431326
H 6.896212 -0.000488 -0.669731
H 7.689804 0.650674 0.814668
H 6.800082 -0.917924 0.888059


