[molpro-user] some question about the energy after optimization

[Ling Tong]

Dear all users,

I have got the following problem when doing calculation of Cr(H2)2H2. This is my
input file:
***,CrH4
geometry=...
basis={
 ecp,cr,ECP10MDF;
 spd,cr,ECP10MDF;c;
 spd,h,6-311++G(d,p);c;
 }
 df=b3lyp
 uks
 occ,5,2,3,1
 closed,4,1,2,0
 wf,18,1,4
 optg,gaussian
 frequencies

But the energy after optimization is higher than the first energy.
  OPTG            UKS-SCF 
    -89.23336376    -89.23699936
I checked the whole optimization process, the energy after the first sep
optimization is lowest, but it stopped after 19 steps. In the whole process, the
energy is surging. How do I solve it? 

In addition, if the Intensities [km/mol] is 0.00 but the wavenumbers of imaginary
frequencies is not 0, is there any imaginary frequencies?

Thank you very much for help!!