[molpro-user] bug of analytic gradient calculation

[ZOUWL]

Dear developers,

In the following input, if a molden file is saved between the MULTI
and OPTG steps, the optimization calculation will crash. It seems that
the gradients are missing.

***,test
memory,20,m

basis=3-21g

geometry={
C
O 1 r1
}

r1 = 1.3 angstrom

hf;

{multi;natorb,2352.2;dm,2352.2;}

!put,molden,molpro.mol;orb,2352.2;

optg
---

Best regards,
Wenli