[molpro-user] Problem with partial optimization

[rsb20 at uakron.edu]

Hi molpro users;
I would like to thank you, especially Berger and Peter, for the 
suggestion to fix problem with molpro. I am still facing problem with 
the partial optimization of methylamine. For this I need to constrain 
the dihedral angle. I have been able to do that in g03 but when I tried 
on molpro it is showing following errors:

Input
***,ch3nh2
r1=1.54, r2=1.069, r3=1.071, r4=1.07, r5=1.07, r6=1.07, a1=109.708, 
a2=108.138,
a3=109.87, a4=108.33, a5=108.95, d1=180, d2=60.0, d3=60.0, d4=180.0
geometry={angstrom,
           C;
           N, C, r1;
           H1, N, r2, C, a1;
          H2, N, r3, C, a2, H1, -d1;
          H3, C, r4, N, a3, H2, d2;
          H4, C, r5, N, a4, H2, -d3;
          H5, C, r6, N, a5, H2, -d4}
cartesian
basis=6-31g**
hf
mp2
optg
constraint,-170,deg,dihedral,atoms=[H2,N,C,H1];

-----------------------------------------------------------------------------

The error in output :
?error
?internal coordinator/constraint is allowed only for slapof optimizer
?the problem occurs in opt_inp1
----------------------------------------------------------------------------

Then I tried to do alternatively as
input file
***,ch3nh2
geometry={
C     -0.000583670    0.001974822   -1.479670491
N      0.001542237   -0.000651370    1.430505570
H1    -0.005609368    1.900503337    2.113464323
H2     0.009738396   -1.924531645    2.058816552
H3     1.649583947   -0.941586470   -2.168982072
H4    -1.659433862   -0.963836160   -2.115230653
H5     -0.008755367    1.914969870   -2.134571020
}
basis=6-31g**
hf
mp2
optg
  optg,savexyz=ch3nh2.xyz
  coord,bmat                  !Optimization in natural internal coordinates
  method,diis                 !Optimization method: Geometry DIIS

  optg,coord=bmat,method=diis
constraint,-170,deg,dihedral,atoms=[H2,N,C,H1];

--=============================
The error in output is
  ? Error
  ? Too few geometry parameters given on zmatrix line
  ? The problem occurs in zmatrix

I would appreciate your help for the suggestion to fix this error.
Thank you
Ram