Hello,<br>I'm new for MOLPRO. And I can't find the information how can I interpret the notation:<br>Orbital energies:<br>   
1.1              
2.1               3.1            4.1             5.1           6.1    
       7.1            8.1             9.1<br>    -10.232785   -10.231846    -0.785055    -0.599287    -0.486936    -0.432784    -0.370832     0.004894     0.019761<br>
<br>         1.2                                  2.2                     3.2<br>     -0.288898    -0.003594     0.059471<br><br><br>What does it mean: "1.1, 3.2, 9.1" and so on.<br>I need HOMO energy for c2h4 molecule with PBE0 potential. May be I should add some keyword?<br>

<br>And my input file was the followng:<br>____________________<br> memory,100,m<br> geometry={angstrom<br> 1 C1,, 0.,0.6695,0.<br> 2 C2,, 0.,-0.6695,0.<br> 3 H1,, -0.9291964775,1.229695418,0.<br> 4 H2,, 0.9291964775,1.229695418,0.<br>

 5 H3,, 0.9291964775,-1.229695418,0.<br> 6 H4,, -0.9291964775,-1.229695418,0.<br> }<br> basis=avtz<br>  <br>  <br> ks,pbe0<br> energ=dftfun<br> table,energ;digits,15