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Replace CC3(FC) by CC3

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This commit is contained in:
Mickaël Véril 2020-01-10 11:30:09 +01:00
parent 2d91d4d32d
commit b50c16e001
93 changed files with 93 additions and 93 deletions
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2
static/data/abs/acetaldehyde_CC3(FC)_aug-cc-pVDZ.dat
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# Molecule : Acetaldehyde
# Comment :
# code :
# method : CC3(FC),aug-cc-pVDZ
# method : CC3,aug-cc-pVDZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/acetaldehyde_CC3(FC)_aug-cc-pVQZ.dat
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@ -1,7 +1,7 @@
# Molecule : Acetaldehyde
# Comment :
# code :
# method : CC3(FC),aug-cc-pVQZ
# method : CC3,aug-cc-pVQZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/acetaldehyde_CC3(FC)_aug-cc-pVTZ.dat
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@ -1,7 +1,7 @@
# Molecule : Acetaldehyde
# Comment :
# code :
# method : CC3(FC),aug-cc-pVTZ
# method : CC3,aug-cc-pVTZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/acetylene_CC3(FC)_aug-cc-pVDZ.dat
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@ -1,7 +1,7 @@
# Molecule : Acetylene
# Comment :
# code :
# method : CC3(FC),aug-cc-pVDZ
# method : CC3,aug-cc-pVDZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/acetylene_CC3(FC)_aug-cc-pVQZ.dat
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@ -1,7 +1,7 @@
# Molecule : Acetylene
# Comment :
# code :
# method : CC3(FC),aug-cc-pVQZ
# method : CC3,aug-cc-pVQZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/acetylene_CC3(FC)_aug-cc-pVTZ.dat
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@ -1,7 +1,7 @@
# Molecule : Acetylene
# Comment :
# code :
# method : CC3(FC),aug-cc-pVTZ
# method : CC3,aug-cc-pVTZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/acetylene_CC3(FC)_d-aug-cc-pVQZ.dat
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@ -1,7 +1,7 @@
# Molecule : Acetylene
# Comment :
# code :
# method : CC3(FC),d-aug-cc-pVQZ
# method : CC3,d-aug-cc-pVQZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/ammonia_CC3(FC)_aug-cc-pVDZ.dat
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@ -1,7 +1,7 @@
# Molecule : Ammonia
# Comment :
# code :
# method : CC3(FC),aug-cc-pVDZ
# method : CC3,aug-cc-pVDZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/ammonia_CC3(FC)_aug-cc-pVQZ.dat
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@ -1,7 +1,7 @@
# Molecule : Ammonia
# Comment :
# code :
# method : CC3(FC),aug-cc-pVQZ
# method : CC3,aug-cc-pVQZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/ammonia_CC3(FC)_aug-cc-pVTZ.dat
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@ -1,7 +1,7 @@
# Molecule : Ammonia
# Comment :
# code :
# method : CC3(FC),aug-cc-pVTZ
# method : CC3,aug-cc-pVTZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/ammonia_CC3(FC)_d-aug-cc-pVQZ.dat
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@ -1,7 +1,7 @@
# Molecule : Ammonia
# Comment :
# code :
# method : CC3(FC),d-aug-cc-pVQZ
# method : CC3,d-aug-cc-pVQZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/ammonia_CC3(FC)_d-aug-cc-pVTZ.dat
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@ -1,7 +1,7 @@
# Molecule : Ammonia
# Comment :
# code :
# method : CC3(FC),d-aug-cc-pVTZ
# method : CC3,d-aug-cc-pVTZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/ammonia_CC3(FC)_t-aug-cc-pVQZ.dat
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@ -1,7 +1,7 @@
# Molecule : Ammonia
# Comment :
# code :
# method : CC3(FC),t-aug-cc-pVQZ
# method : CC3,t-aug-cc-pVQZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/carbon_monoxide_CC3(FC)_aug-cc-pVDZ.dat
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@ -1,7 +1,7 @@
# Molecule : Carbon monoxide
# Comment :
# code :
# method : CC3(FC),aug-cc-pVDZ
# method : CC3,aug-cc-pVDZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/carbon_monoxide_CC3(FC)_aug-cc-pVQZ.dat
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@ -1,7 +1,7 @@
# Molecule : Carbon monoxide
# Comment :
# code :
# method : CC3(FC),aug-cc-pVQZ
# method : CC3,aug-cc-pVQZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/carbon_monoxide_CC3(FC)_aug-cc-pVTZ.dat
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@ -1,7 +1,7 @@
# Molecule : Carbon monoxide
# Comment :
# code :
# method : CC3(FC),aug-cc-pVTZ
# method : CC3,aug-cc-pVTZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/carbon_monoxide_CC3(FC)_d-aug-cc-pVQZ.dat
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@ -1,7 +1,7 @@
# Molecule : Carbon monoxide
# Comment :
# code :
# method : CC3(FC),d-aug-cc-pVQZ
# method : CC3,d-aug-cc-pVQZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/carbon_monoxide_CC3(FC)_t-aug-cc-pVQZ.dat
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@ -1,7 +1,7 @@
# Molecule : Carbon monoxide
# Comment :
# code :
# method : CC3(FC),t-aug-cc-pVQZ
# method : CC3,t-aug-cc-pVQZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/cyclopropene_CC3(FC)_aug-cc-pVDZ.dat
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@ -1,7 +1,7 @@
# Molecule : Cyclopropene
# Comment :
# code :
# method : CC3(FC),aug-cc-pVDZ
# method : CC3,aug-cc-pVDZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/cyclopropene_CC3(FC)_aug-cc-pVQZ.dat
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@ -1,7 +1,7 @@
# Molecule : Cyclopropene
# Comment :
# code :
# method : CC3(FC),aug-cc-pVQZ
# method : CC3,aug-cc-pVQZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/cyclopropene_CC3(FC)_aug-cc-pVTZ.dat
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@ -1,7 +1,7 @@
# Molecule : Cyclopropene
# Comment :
# code :
# method : CC3(FC),aug-cc-pVTZ
# method : CC3,aug-cc-pVTZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/diazomethane_CC3(FC)_aug-cc-pVDZ.dat
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@ -1,7 +1,7 @@
# Molecule : Diazomethane
# Comment :
# code :
# method : CC3(FC),aug-cc-pVDZ
# method : CC3,aug-cc-pVDZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/diazomethane_CC3(FC)_aug-cc-pVQZ.dat
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@ -1,7 +1,7 @@
# Molecule : Diazomethane
# Comment :
# code :
# method : CC3(FC),aug-cc-pVQZ
# method : CC3,aug-cc-pVQZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/diazomethane_CC3(FC)_aug-cc-pVTZ.dat
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@ -1,7 +1,7 @@
# Molecule : Diazomethane
# Comment :
# code :
# method : CC3(FC),aug-cc-pVTZ
# method : CC3,aug-cc-pVTZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/dinitrogen_CC3(FC)_aug-cc-pVDZ.dat
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@ -1,7 +1,7 @@
# Molecule : Dinitrogen
# Comment :
# code :
# method : CC3(FC),aug-cc-pVDZ
# method : CC3,aug-cc-pVDZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/dinitrogen_CC3(FC)_aug-cc-pVQZ.dat
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@ -1,7 +1,7 @@
# Molecule : Dinitrogen
# Comment :
# code :
# method : CC3(FC),aug-cc-pVQZ
# method : CC3,aug-cc-pVQZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/dinitrogen_CC3(FC)_aug-cc-pVTZ.dat
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@ -1,7 +1,7 @@
# Molecule : Dinitrogen
# Comment :
# code :
# method : CC3(FC),aug-cc-pVTZ
# method : CC3,aug-cc-pVTZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/dinitrogen_CC3(FC)_d-aug-cc-pVQZ.dat
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@ -1,7 +1,7 @@
# Molecule : Dinitrogen
# Comment :
# code :
# method : CC3(FC),d-aug-cc-pVQZ
# method : CC3,d-aug-cc-pVQZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/dinitrogen_CC3(FC)_t-aug-cc-pVQZ.dat
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@ -1,7 +1,7 @@
# Molecule : Dinitrogen
# Comment :
# code :
# method : CC3(FC),t-aug-cc-pVQZ
# method : CC3,t-aug-cc-pVQZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/ethylene_CC3(FC)_aug-cc-pVDZ.dat
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@ -1,7 +1,7 @@
# Molecule : Ethylene
# Comment :
# code :
# method : CC3(FC),aug-cc-pVDZ
# method : CC3,aug-cc-pVDZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/ethylene_CC3(FC)_aug-cc-pVQZ.dat
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@ -1,7 +1,7 @@
# Molecule : Ethylene
# Comment :
# code :
# method : CC3(FC),aug-cc-pVQZ
# method : CC3,aug-cc-pVQZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/ethylene_CC3(FC)_aug-cc-pVTZ.dat
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@ -1,7 +1,7 @@
# Molecule : Ethylene
# Comment :
# code :
# method : CC3(FC),aug-cc-pVTZ
# method : CC3,aug-cc-pVTZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/ethylene_CC3(FC)_d-aug-cc-pVQZ.dat
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@ -1,7 +1,7 @@
# Molecule : Ethylene
# Comment :
# code :
# method : CC3(FC),d-aug-cc-pVQZ
# method : CC3,d-aug-cc-pVQZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/formaldehyde_CC3(FC)_aug-cc-pVDZ.dat
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# Molecule : Formaldehyde
# Comment :
# code :
# method : CC3(FC),aug-cc-pVDZ
# method : CC3,aug-cc-pVDZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/formaldehyde_CC3(FC)_aug-cc-pVQZ.dat
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@ -1,7 +1,7 @@
# Molecule : Formaldehyde
# Comment :
# code :
# method : CC3(FC),aug-cc-pVQZ
# method : CC3,aug-cc-pVQZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/formaldehyde_CC3(FC)_aug-cc-pVTZ.dat
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@ -1,7 +1,7 @@
# Molecule : Formaldehyde
# Comment :
# code :
# method : CC3(FC),aug-cc-pVTZ
# method : CC3,aug-cc-pVTZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/formaldehyde_CC3(FC)_d-aug-cc-pVQZ.dat
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@ -1,7 +1,7 @@
# Molecule : Formaldehyde
# Comment :
# code :
# method : CC3(FC),d-aug-cc-pVQZ
# method : CC3,d-aug-cc-pVQZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/formamide_CC3(FC)_aug-cc-pVDZ.dat
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@ -1,7 +1,7 @@
# Molecule : Formamide
# Comment :
# code :
# method : CC3(FC),aug-cc-pVDZ
# method : CC3,aug-cc-pVDZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/formamide_CC3(FC)_aug-cc-pVQZ.dat
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# Molecule : Formamide
# Comment :
# code :
# method : CC3(FC),aug-cc-pVQZ
# method : CC3,aug-cc-pVQZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/formamide_CC3(FC)_aug-cc-pVTZ.dat
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@ -1,7 +1,7 @@
# Molecule : Formamide
# Comment :
# code :
# method : CC3(FC),aug-cc-pVTZ
# method : CC3,aug-cc-pVTZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/hydrogen_chloride_CC3(FC)_aug-cc-pVDZ.dat
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@ -1,7 +1,7 @@
# Molecule : Hydrogen chloride
# Comment :
# code :
# method : CC3(FC),aug-cc-pVDZ
# method : CC3,aug-cc-pVDZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/hydrogen_chloride_CC3(FC)_aug-cc-pVQZ.dat
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# Molecule : Hydrogen chloride
# Comment :
# code :
# method : CC3(FC),aug-cc-pVQZ
# method : CC3,aug-cc-pVQZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/hydrogen_chloride_CC3(FC)_aug-cc-pVTZ.dat
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# Molecule : Hydrogen chloride
# Comment :
# code :
# method : CC3(FC),aug-cc-pVTZ
# method : CC3,aug-cc-pVTZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/hydrogen_chloride_CC3(FC)_d-aug-cc-pVQZ.dat
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# Molecule : Hydrogen chloride
# Comment :
# code :
# method : CC3(FC),d-aug-cc-pVQZ
# method : CC3,d-aug-cc-pVQZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/hydrogen_chloride_CC3(FC)_d-aug-cc-pVTZ.dat
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@ -1,7 +1,7 @@
# Molecule : Hydrogen chloride
# Comment :
# code :
# method : CC3(FC),d-aug-cc-pVTZ
# method : CC3,d-aug-cc-pVTZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/hydrogen_chloride_CC3(FC)_t-aug-cc-pVQZ.dat
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@ -1,7 +1,7 @@
# Molecule : Hydrogen chloride
# Comment :
# code :
# method : CC3(FC),t-aug-cc-pVQZ
# method : CC3,t-aug-cc-pVQZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/hydrogen_sulfide_CC3(FC)_aug-cc-pVDZ.dat
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@ -1,7 +1,7 @@
# Molecule : Hydrogen sulfide
# Comment :
# code :
# method : CC3(FC),aug-cc-pVDZ
# method : CC3,aug-cc-pVDZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/hydrogen_sulfide_CC3(FC)_aug-cc-pVQZ.dat
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@ -1,7 +1,7 @@
# Molecule : Hydrogen sulfide
# Comment :
# code :
# method : CC3(FC),aug-cc-pVQZ
# method : CC3,aug-cc-pVQZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/hydrogen_sulfide_CC3(FC)_aug-cc-pVTZ.dat
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@ -1,7 +1,7 @@
# Molecule : Hydrogen sulfide
# Comment :
# code :
# method : CC3(FC),aug-cc-pVTZ
# method : CC3,aug-cc-pVTZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/hydrogen_sulfide_CC3(FC)_d-aug-cc-pVQZ.dat
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@ -1,7 +1,7 @@
# Molecule : Hydrogen sulfide
# Comment :
# code :
# method : CC3(FC),d-aug-cc-pVQZ
# method : CC3,d-aug-cc-pVQZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/hydrogen_sulfide_CC3(FC)_d-aug-cc-pVTZ.dat
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@ -1,7 +1,7 @@
# Molecule : Hydrogen sulfide
# Comment :
# code :
# method : CC3(FC),d-aug-cc-pVTZ
# method : CC3,d-aug-cc-pVTZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/hydrogen_sulfide_CC3(FC)_t-aug-cc-pVQZ.dat
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@ -1,7 +1,7 @@
# Molecule : Hydrogen sulfide
# Comment :
# code :
# method : CC3(FC),t-aug-cc-pVQZ
# method : CC3,t-aug-cc-pVQZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/ketene_CC3(FC)_aug-cc-pVDZ.dat
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@ -1,7 +1,7 @@
# Molecule : Ketene
# Comment :
# code :
# method : CC3(FC),aug-cc-pVDZ
# method : CC3,aug-cc-pVDZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/ketene_CC3(FC)_aug-cc-pVQZ.dat
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@ -1,7 +1,7 @@
# Molecule : Ketene
# Comment :
# code :
# method : CC3(FC),aug-cc-pVQZ
# method : CC3,aug-cc-pVQZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/ketene_CC3(FC)_aug-cc-pVTZ.dat
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@ -1,7 +1,7 @@
# Molecule : Ketene
# Comment :
# code :
# method : CC3(FC),aug-cc-pVTZ
# method : CC3,aug-cc-pVTZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/methanimine_CC3(FC)_aug-cc-pVDZ.dat
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@ -1,7 +1,7 @@
# Molecule : Methanimine
# Comment :
# code :
# method : CC3(FC),aug-cc-pVDZ
# method : CC3,aug-cc-pVDZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/methanimine_CC3(FC)_aug-cc-pVQZ.dat
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@ -1,7 +1,7 @@
# Molecule : Methanimine
# Comment :
# code :
# method : CC3(FC),aug-cc-pVQZ
# method : CC3,aug-cc-pVQZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/methanimine_CC3(FC)_aug-cc-pVTZ.dat
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@ -1,7 +1,7 @@
# Molecule : Methanimine
# Comment :
# code :
# method : CC3(FC),aug-cc-pVTZ
# method : CC3,aug-cc-pVTZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/methanimine_CC3(FC)_d-aug-cc-pVQZ.dat
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@ -1,7 +1,7 @@
# Molecule : Methanimine
# Comment :
# code :
# method : CC3(FC),d-aug-cc-pVQZ
# method : CC3,d-aug-cc-pVQZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/nitrosomethane_CC3(FC)_aug-cc-pVDZ.dat
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@ -1,7 +1,7 @@
# Molecule : Nitrosomethane
# Comment :
# code :
# method : CC3(FC),aug-cc-pVDZ
# method : CC3,aug-cc-pVDZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/nitrosomethane_CC3(FC)_aug-cc-pVQZ.dat
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@ -1,7 +1,7 @@
# Molecule : Nitrosomethane
# Comment :
# code :
# method : CC3(FC),aug-cc-pVQZ
# method : CC3,aug-cc-pVQZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/nitrosomethane_CC3(FC)_aug-cc-pVTZ.dat
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@ -1,7 +1,7 @@
# Molecule : Nitrosomethane
# Comment :
# code :
# method : CC3(FC),aug-cc-pVTZ
# method : CC3,aug-cc-pVTZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/thioformaldehyde_CC3(FC)_aug-cc-pVDZ.dat
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@ -1,7 +1,7 @@
# Molecule : Thioformaldehyde
# Comment :
# code :
# method : CC3(FC),aug-cc-pVDZ
# method : CC3,aug-cc-pVDZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/thioformaldehyde_CC3(FC)_aug-cc-pVQZ.dat
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@ -1,7 +1,7 @@
# Molecule : Thioformaldehyde
# Comment :
# code :
# method : CC3(FC),aug-cc-pVQZ
# method : CC3,aug-cc-pVQZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/thioformaldehyde_CC3(FC)_aug-cc-pVTZ.dat
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# Molecule : Thioformaldehyde
# Comment :
# code :
# method : CC3(FC),aug-cc-pVTZ
# method : CC3,aug-cc-pVTZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/thioformaldehyde_CC3(FC)_d-aug-cc-pVQZ.dat
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# Molecule : Thioformaldehyde
# Comment :
# code :
# method : CC3(FC),d-aug-cc-pVQZ
# method : CC3,d-aug-cc-pVQZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/water_CC3(FC)_aug-cc-pVDZ.dat
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# Molecule : Water
# Comment :
# code :
# method : CC3(FC),aug-cc-pVDZ
# method : CC3,aug-cc-pVDZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/water_CC3(FC)_aug-cc-pVQZ.dat
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# Molecule : Water
# Comment :
# code :
# method : CC3(FC),aug-cc-pVQZ
# method : CC3,aug-cc-pVQZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/water_CC3(FC)_aug-cc-pVTZ.dat
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# Molecule : Water
# Comment :
# code :
# method : CC3(FC),aug-cc-pVTZ
# method : CC3,aug-cc-pVTZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/water_CC3(FC)_d-aug-cc-pVQZ.dat
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# Molecule : Water
# Comment :
# code :
# method : CC3(FC),d-aug-cc-pVQZ
# method : CC3,d-aug-cc-pVQZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/water_CC3(FC)_d-aug-cc-pVTZ.dat
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# Molecule : Water
# Comment :
# code :
# method : CC3(FC),d-aug-cc-pVTZ
# method : CC3,d-aug-cc-pVTZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/water_CC3(FC)_t-aug-cc-pVQZ.dat
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# Molecule : Water
# Comment :
# code :
# method : CC3(FC),t-aug-cc-pVQZ
# method : CC3,t-aug-cc-pVQZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/fluo/acetylene_CC3(FC)_aug-cc-pVDZ.dat
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# Molecule : Acetylene
# Comment :
# code :
# method : CC3(FC),aug-cc-pVDZ
# method : CC3,aug-cc-pVDZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/fluo/acetylene_CC3(FC)_aug-cc-pVQZ.dat
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# Molecule : Acetylene
# Comment :
# code :
# method : CC3(FC),aug-cc-pVQZ
# method : CC3,aug-cc-pVQZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/fluo/acetylene_CC3(FC)_aug-cc-pVTZ.dat
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# Molecule : Acetylene
# Comment :
# code :
# method : CC3(FC),aug-cc-pVTZ
# method : CC3,aug-cc-pVTZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/fluo/acetylene_CC3(FC)_d-aug-cc-pVQZ.dat
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# Molecule : Acetylene
# Comment :
# code :
# method : CC3(FC),d-aug-cc-pVQZ
# method : CC3,d-aug-cc-pVQZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/fluo/diazomethane_CC3(FC)_aug-cc-pVDZ.dat
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# Molecule : Diazomethane
# Comment :
# code :
# method : CC3(FC),aug-cc-pVDZ
# method : CC3,aug-cc-pVDZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/fluo/diazomethane_CC3(FC)_aug-cc-pVQZ.dat
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# Molecule : Diazomethane
# Comment :
# code :
# method : CC3(FC),aug-cc-pVQZ
# method : CC3,aug-cc-pVQZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/fluo/diazomethane_CC3(FC)_aug-cc-pVTZ.dat
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# Molecule : Diazomethane
# Comment :
# code :
# method : CC3(FC),aug-cc-pVTZ
# method : CC3,aug-cc-pVTZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/fluo/formaldehyde_CC3(FC)_aug-cc-pVDZ.dat
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# Molecule : Formaldehyde
# Comment :
# code :
# method : CC3(FC),aug-cc-pVDZ
# method : CC3,aug-cc-pVDZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/fluo/formaldehyde_CC3(FC)_aug-cc-pVQZ.dat
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# Molecule : Formaldehyde
# Comment :
# code :
# method : CC3(FC),aug-cc-pVQZ
# method : CC3,aug-cc-pVQZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/fluo/formaldehyde_CC3(FC)_aug-cc-pVTZ.dat
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# Molecule : Formaldehyde
# Comment :
# code :
# method : CC3(FC),aug-cc-pVTZ
# method : CC3,aug-cc-pVTZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/fluo/formaldehyde_CC3(FC)_d-aug-cc-pVQZ.dat
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# Molecule : Formaldehyde
# Comment :
# code :
# method : CC3(FC),d-aug-cc-pVQZ
# method : CC3,d-aug-cc-pVQZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/fluo/ketene_CC3(FC)_aug-cc-pVDZ.dat
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# Molecule : Ketene
# Comment :
# code :
# method : CC3(FC),aug-cc-pVDZ
# method : CC3,aug-cc-pVDZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/fluo/ketene_CC3(FC)_aug-cc-pVQZ.dat
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# Molecule : Ketene
# Comment :
# code :
# method : CC3(FC),aug-cc-pVQZ
# method : CC3,aug-cc-pVQZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/fluo/ketene_CC3(FC)_aug-cc-pVTZ.dat
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# Molecule : Ketene
# Comment :
# code :
# method : CC3(FC),aug-cc-pVTZ
# method : CC3,aug-cc-pVTZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/fluo/nitrosomethane_CC3(FC)_aug-cc-pVDZ.dat
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# Molecule : Nitrosomethane
# Comment :
# code :
# method : CC3(FC),aug-cc-pVDZ
# method : CC3,aug-cc-pVDZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/fluo/nitrosomethane_CC3(FC)_aug-cc-pVQZ.dat
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# Molecule : Nitrosomethane
# Comment :
# code :
# method : CC3(FC),aug-cc-pVQZ
# method : CC3,aug-cc-pVQZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/fluo/nitrosomethane_CC3(FC)_aug-cc-pVTZ.dat
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# Molecule : Nitrosomethane
# Comment :
# code :
# method : CC3(FC),aug-cc-pVTZ
# method : CC3,aug-cc-pVTZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/fluo/thioformaldehyde_CC3(FC)_aug-cc-pVDZ.dat
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# Molecule : Thioformaldehyde
# Comment :
# code :
# method : CC3(FC),aug-cc-pVDZ
# method : CC3,aug-cc-pVDZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/fluo/thioformaldehyde_CC3(FC)_aug-cc-pVQZ.dat
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# Molecule : Thioformaldehyde
# Comment :
# code :
# method : CC3(FC),aug-cc-pVQZ
# method : CC3,aug-cc-pVQZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/fluo/thioformaldehyde_CC3(FC)_aug-cc-pVTZ.dat
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@ -1,7 +1,7 @@
# Molecule : Thioformaldehyde
# Comment :
# code :
# method : CC3(FC),aug-cc-pVTZ
# method : CC3,aug-cc-pVTZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/fluo/thioformaldehyde_CC3(FC)_d-aug-cc-pVQZ.dat
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# Molecule : Thioformaldehyde
# Comment :
# code :
# method : CC3(FC),d-aug-cc-pVQZ
# method : CC3,d-aug-cc-pVQZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406,true