Looking to clarify some of the output from the TDDFT calculation.

For my input:

```
molecule mol {
0 1
O 0.00000000 0.00000000 0.00000000
H 0.00000000 -0.79069000 0.61221700
H 0.00000000 0.79069000 0.61221700
symmetry c1
}
set scf_type df
set basis aug-cc-pVTZ
set reference rks
set s_tolerance 1e-9
set_num_threads(62)
set save_jk true
import numpy as np
import psi4
from psi4.driver.procrouting.response.scf_response import tdscf_excitations
from psi4.driver.p4util import spectrum
e, wfn = energy('b3lyp-d3bj', return_wfn=True)
res = tdscf_excitations(wfn, states=20)
```

Question #1: I added ‘symmetry c1’ per an example I saw – is this the standard trick to get the breakdown of the excitations & de-excitations for a symmetric molecule?

So, I did get the breakdown of the excitations & de-excitations. For example:

```
Excited State 1 (1 A): 0.24630 au 185.00 nm f = 0.0434
Sums of squares: Xssq = 1.000490e+00; Yssq = 4.902097e-04; Xssq - Yssq = 1.000000e+00
5 -> 6 0.991925 (98.391%)
5 -> 8 0.117839 ( 1.389%)
```

I’m reading this as, for Excited State 1 (with wavelength 185nm and oscillator strength of 0.0434) you have two contributions:

- A dominant transition (i.e., 98.391%) from MOs 5–>6
- A ‘minor’ (1.389%) transition from MOs 5–>8

Question #2: Is this correct?

Question #3: Can you clarify ‘Sums of squares’ to me?

Question #4: In addition to the oscillator strengths, can the respective transition dipole moment also be printed? I understand their relationship – just would like to see them both at the same time.