how to force Dalton to ignore symmetry

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Posts: 10
Joined: 04 Dec 2014, 21:07
First name(s): James
Last name(s): Mao
Affiliation: UTA
Country: United States

how to force Dalton to ignore symmetry

Post by xjamesmao » 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

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!
"NoSymmetry" solved the problem.

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