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Revision 2 as of 2018-11-14 02:57:15

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location: Nto analyze

Natural transition orbital analyze from TDDFT/TDHF

$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