seniority/excitation_energies/C2_aug-cc-pvdz/GS_HF/fci

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2021-07-12 12:28:04 +02:00
2.21
2.50
0.0505612559692 -0.645243632414 -0.605352250825
+++++-+---------------------------------------------------------
+++++-+---------------------------------------------------------
0.0505992276926 0.645047834966 -0.60552409466
++++-++---------------------------------------------------------
++++-++---------------------------------------------------------
-0.833814657552 2.0136182538e-05 0.0336142263081
++++++----------------------------------------------------------
++++++----------------------------------------------------------
_______________________________________________________________________-
1.32 1.32 2.21 2.50
s1 s2 s3 s4
0.0505386188704 0. 0. 0.647789575694 -0.608981474806 0.
+++++-+---------------------------------------------------------
+++++-+---------------------------------------------------------
0.0506671771222 0. 0. -0.647865596599 -0.608877886225 0.
++++-++---------------------------------------------------------
++++-++---------------------------------------------------------
-0.838735721585 0. 0. -6.61174053588e-05 0.0333119151012 0.
++++++----------------------------------------------------------
++++++----------------------------------------------------------
2.30211906142e-06 0.651303119736 1.06494071107e-06 0. 0. -4.89782163381e-06
++++++----------------------------------------------------------
++++-++---------------------------------------------------------
-2.29762271371e-06 1.30588463431e-06 0.651284338169 0. 0. -5.53586169959e-06
++++++----------------------------------------------------------
+++++-+---------------------------------------------------------
2.29760183595e-06 -8.51219299161e-07 0.651280663226 0. 0. 5.4015022662e-06
+++++-+---------------------------------------------------------
++++++----------------------------------------------------------
-2.29062099862e-06 0.651295200828 -1.55917086513e-06 0. 0. 4.48400699937e-06
++++-++---------------------------------------------------------
++++++----------------------------------------------------------