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Use TBE instead of TBE(FC) in QUEST#5 data

This commit is contained in:
Mickaël Véril 2020-09-09 18:19:27 +02:00
parent 2b6cac3799
commit 105e46277a
11 changed files with 11 additions and 11 deletions

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@ -1,7 +1,7 @@
# Molecule : Aza-naphthalene
# Comment :
# code :
# method : TBE(FC),aug-cc-pVTZ
# method : TBE,aug-cc-pVTZ
# geom : CC3/cc-pVTZ
# article : QUEST5-1

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@ -1,7 +1,7 @@
# Molecule : Benzoquinone
# Comment :
# code :
# method : TBE(FC),aug-cc-pVTZ
# method : TBE,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# article : QUEST5-1

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@ -1,7 +1,7 @@
# Molecule : Cyclopentadienethione
# Comment :
# code :
# method : TBE(FC),aug-cc-pVTZ
# method : TBE,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# article : QUEST5-1

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@ -1,7 +1,7 @@
# Molecule : Cyclopentadienone
# Comment :
# code :
# method : TBE(FC),aug-cc-pVTZ
# method : TBE,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# article : QUEST5-1

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@ -1,7 +1,7 @@
# Molecule : Hexatriene
# Comment :
# code :
# method : TBE(FC),aug-cc-pVTZ
# method : TBE,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# article : QUEST5-1

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@ -1,7 +1,7 @@
# Molecule : Maleimide
# Comment :
# code :
# method : TBE(FC),aug-cc-pVTZ
# method : TBE,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# article : QUEST5-1

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@ -1,7 +1,7 @@
# Molecule : Naphthalene
# Comment :
# code :
# method : TBE(FC),aug-cc-pVTZ
# method : TBE,aug-cc-pVTZ
# geom : CC3/cc-pVTZ
# article : QUEST5-1

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@ -1,7 +1,7 @@
# Molecule : Nitroxyl
# Comment :
# code :
# method : TBE(FC),aug-cc-pVTZ
# method : TBE,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# article : QUEST5-1

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@ -1,7 +1,7 @@
# Molecule : Streptocyanine-C3
# Comment :
# code :
# method : TBE(FC),aug-cc-pVTZ
# method : TBE,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# article : QUEST5-1

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@ -1,7 +1,7 @@
# Molecule : Streptocyanine-C5
# Comment :
# code :
# method : TBE(FC),aug-cc-pVTZ
# method : TBE,aug-cc-pVTZ
# geom : CC3/cc-pVTZ
# article : QUEST5-1

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@ -1,7 +1,7 @@
# Molecule : Thioacrolein
# Comment :
# code :
# method : TBE(FC),aug-cc-pVTZ
# method : TBE,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# article : QUEST5-1