I am trying replicate the PES curves for the ground state and the first four excited states of BH+. Here is my input file:

```
molecule BH {
1 2
B
H 1 R
}
set {
basis aug-cc-pcvqz
reference ROHF
roots_per_irrep [2,0,3,0]
}
rvals = [###] # lots of numbers
for r in rvals:
BH.R = r
property('eom-ccsd', properties=['oscillator_strength'])
```

From this I was able to obtain the PES curves for the first 6 states.

I was comparing these states to ones in literature. I realized that one of the PES curves I had did not appear in the paper. Specifically the curve produced from the 2B1 irreducible representation does not appear in any literature paper. In addition, the energy does not converge at the minimum of this curve (around 1.8 A).

This mysterious curve is similar to literature results for the quartet state, but since I specified a multiplicity of two, I don’t think that is the answer.

Why is the mysterious curve appearing and what could it be?