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This commit is contained in:
Anthony Scemama 2021-06-29 13:36:24 +02:00
parent 233a4b45d3
commit a7cee51673
2 changed files with 3 additions and 1 deletions
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3
data_AS/pyrazine_opt.dat
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@ -22,4 +22,5 @@
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10485760 -263.5396149054 -0.0466258293 0.0000928467 -0.0463218210 0.0000922413
20971520 -263.5492804371 -0.0399442242 0.0000794827 -0.0397272227 0.0000790509
41943040 -263.5579104196 -0.0328125804 0.0007840000 -0.0326706916 0.0007806098
41943040 -263.5579104196 -0.0338945804 0.0000893000 -0.0337427045 0.0000888999

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data_AS/pyrrole_opt.dat
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@ -23,3 +23,4 @@
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20971520 -209.5523182278 -0.0247741588 0.0000482303 -0.0246899334 0.0000480664
41943040 -209.5582518194 -0.0205463355 0.0000400965 -0.0204901625 0.0000399869
83886080 -209.5632422400 -0.0172727600 0.0003890000 -0.0172343790 0.0003881356