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benzene+pyridine NO OK

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This commit is contained in:
Anthony Scemama 2021-07-29 19:22:54 +02:00
parent 1b716b14a6
commit 5b9b8ec489
2 changed files with 2 additions and 0 deletions
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1
data_AS/benzene_no.dat
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@ -23,3 +23,4 @@
10485760 -231.4529267946 -0.1034069718 0.0002056718 -0.1015824747 0.0002020429
20971520 -231.4645290852 -0.0942474663 0.0001880281 -0.0927652325 0.0001850710
41943040 -231.4768202820 -0.0842614465 0.0001668731 -0.0831039064 0.0001645807
83886080 -231.4895438170 -0.0746164115 0.0003622034 -0.0737313072 0.0035790692

1
data_AS/pyridine_no.dat
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@ -23,3 +23,4 @@
10485760 -247.4637428655 -0.1057773192 0.0002104625 -0.1039205954 0.0002067683
20971520 -247.4753699775 -0.0967407932 0.0001933432 -0.0952218594 0.0001903075
41943040 -247.4876731985 -0.0865878863 0.0001719015 -0.0853982537 0.0001695398
83886080 -247.5004308830 -0.0770957245 0.0003815831 -0.0761773500 0.0003770376