### how to force Dalton to ignore symmetry

Posted:

**06 Aug 2017, 01:44**Dear all,

Anyone knows how to perform EOM-CC calculation without symmetry? Basically I just hope to calculate the first 3 transitions, regardless which irreducible representatation they belongs to.

I tried by assigning

.NSYM

1

and

.NCCEXCI

3

but it seems Dalton still recognize the symmetry of the molecule, and calculate the first 3 transitions belonging to its first irreducible representation. So, is there any way to force the program treat molecule's symmetry as C1?

Thank you all very much!

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

update:

"NoSymmetry" solved the problem.

Anyone knows how to perform EOM-CC calculation without symmetry? Basically I just hope to calculate the first 3 transitions, regardless which irreducible representatation they belongs to.

I tried by assigning

.NSYM

1

and

.NCCEXCI

3

but it seems Dalton still recognize the symmetry of the molecule, and calculate the first 3 transitions belonging to its first irreducible representation. So, is there any way to force the program treat molecule's symmetry as C1?

Thank you all very much!

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

update:

"NoSymmetry" solved the problem.