Natural transition orbital analyze from TDDFT/TDHF

Edit conflict - other version:

$COMPASS 
Title
 C2H4 Molecule test run, cc-pvqz 
Basis
 6-31G
Geometry
 C     .000000     .000000     .667480
 C     .000000     .000000    -.667480
 H     .000000     .922832    1.237695
 H     .000000    -.922832    1.237695
 H     .000000     .922832   -1.237695
 H     .000000    -.922832   -1.237695
End geometry
Group
 C(1)
Skeleton
$END

$xuanyuan
Direct
Schwartz
$end

$scf
RHF
Charge
 0
$end

Edit conflict - your version:

$COMPASS 
Title
 C2H4 Molecule test run, cc-pvqz 
Basis
 6-31G
Geometry
 C     .000000     .000000     .667480
 C     .000000     .000000    -.667480
 H     .000000     .922832    1.237695
 H     .000000    -.922832    1.237695
 H     .000000     .922832   -1.237695
 H     .000000    -.922832   -1.237695
End geometry
Group
 C(1)
Skeleton
$END

$xuanyuan
Direct
Schwartz
$end

$scf
RHF
Charge
 0
$end

# First TDDFT calculate 3 excited states. Notice, keyword "istore" is used to save wavefunction. 
$TDDFT
IMETHOD
 1
ISF
 0
ITDA
 0
IDIAG
 1
istore
 1
iexit
 3
AOKXC
MemJKOP
 2048
crit_e
1.d-4
$END

# Seconded TDDFT is used to carry out NTO analyze. Two states, namely the 1st and 3rd states are asked to perform NTO analyzes.
$TDDFT
ntoanalyze
 2
 1 3
$END

End of edit conflict