TD-DFT: mkl2017

$COMPASS
Title
 CH2O+ Molecule test run
Basis
 aug-cc-pvtz
Geometry
 N 0.0  0.0 0.0
 N 0.0  0.0 1.1164
END geometry
Skeleton
Group
C(1)
$END

$XUANYUAN
Direct
Schwarz
$END

$SCF
ROKS
DFT # xc functionals
GB3LYP
charge
1
spin
2
$END

$TDDFT
IMETHOD
 2
ISF
 0
IDIAG 
 1
ITDA
 0
icorrect # these three variables control x-tddft
 1
itest
 1 
itrans
 1
iexit # no. of excited states
 50
#adaptivegrid
# -1
#numinttype
# 1
$END