[molpro-user] how to read a geometry from file 2?

[Gert von Helden]

Hi there,

I am sorry to ask this very basic (and probably stupid) question:
I am doing a geometry optimization, for example:

***,test
memory,200,m
file,2,test.wfu
gdirect
geomtyp=zmat
geometry={
nosym
noorient
C,,       2.238561188  ,  0.214162850 ,   0.000248695
C,,       2.621931610  , -2.417606353 ,   0.000169557
C,,       5.090351116  , -3.406557352 ,   0.000014148
C,,       7.180784670  , -1.762342152 ,  -0.000087737
C,,       6.801123362  ,  0.869724514 ,   0.000000792
C,,       4.331009873  ,  1.855368311 ,   0.000168119
H,,       0.315612189  ,  0.977023393 ,   0.000379367
H,,       0.989118826  , -3.691403811 ,   0.000239110
H,,       5.386222898  , -5.456806588 ,  -0.000045841
H,,       9.103953627  , -2.531499547 ,  -0.000227870
H,,       8.429007554  ,  2.150575487 ,  -0.000070553
H,,       4.034307623  ,  3.905621231  ,   0.000228146
}
basis=sto-3g
hf;
optg
---

How do I read the optimized geometry for a subsequent calculation? Any 
further calculation (that specifies "file,2,test.wfu") that I tried 
will tell me what the optimized parameters in the file are, but I did 
not figure out how to use them.

Thanks for any help!

...Gert

-------------------------------------
Gert von Helden
Fritz-Haber-Institut der Max-Planck-Gesellschaft
Faradayweg 4-6
14195 Berlin
tel.: +49-30-8413 5615
fax: +49-30-8413 5603