TD-DFT with SOC: Kramers pairs

Quartet state with SOC

SOC:

$COMPASS
Title
 H10
Basis
 cc-pvdz
Geometry
 C 0. 0. 0.
 S 0. 0. 1.1151
END geometry
$END

$XUANYUAN
scalar
heff
0
soint
hsoc
0
$END

$SCF
UKS
DFT
SVWN5
charge
1
spin
2
$END

$TRAINT
utddft
orbi
hforb
$END

$tddft
imethod
2
isf
1
itda
1
idiag
1
istore
1
nexit
2 2 2 2
$END

$TDDFT
isoc
2
nfiles
1
ifgs
0
imatsoc
-1
$END