[molpro-user] 'state' option in ccsd(t)

[samala nagaprasad reddy]

Sir,
 My self, S. Nagaprasad Reddy, pursuing Ph.D under the guidance of Prof. S.
Mahapatra, school of chemistry,University of Hyderabad, India.

I want to calculate ionisation values using ccsd(t) method. I have to
calculate two states in each symmetry, here state,2; option is not working.
Please give me any suggestions to calculate more states in the same
symmetry.

My input is

! Cite this work as:
 ***,coupling constants
 memory,450,m
 basis,avtz
 gprint,orbitals,civectors
 geomtyp = xyz
 geometry = {8,
 planar isomer
C                     0.000000    0.696870   -0.915402
C                     0.000000   -0.696870   -0.915402
N                     0.000000    0.000000    1.048260
H                     0.000000    0.000000    2.056120
H                     0.000000    1.396676   -1.731439
H                     0.000000   -1.396676   -1.731439
N                     0.000000   -1.133496    0.360983
N                     0.000000    1.133496    0.360983
 end}
 {rhf;occ,9,2,6,1;wf,36,1,0;}
 {uccsd(t);occ,9,2,6,1;wf,36,1,0;}
 {rhf;occ,9,2,6,1;wf,35,3,1;}
 {uccsd(t);occ,9,2,6,1;wf,35,3,1;state,2;}




Thanks in advance
S. Nagaprasad Reddy.
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