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Fix missing code

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This commit is contained in:
Mickaël Véril 2020-01-15 17:13:04 +01:00
parent 902df0b5d5
commit b875dae624
223 changed files with 223 additions and 223 deletions
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2
static/data/abs/acetaldehyde_ADC(2)_aug-cc-pVTZ.dat
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# Molecule : Acetaldehyde
# Comment :
# code :
# code : MRCC
# method : ADC(2),aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/acetaldehyde_ADC(3)_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Acetaldehyde
# Comment :
# code :
# code : MRCC
# method : ADC(3),aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/acetaldehyde_CC(3)_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Acetaldehyde
# Comment :
# code :
# code : MRCC
# method : CC(3),aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/acetaldehyde_CC2_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Acetaldehyde
# Comment :
# code :
# code : MRCC
# method : CC2,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/acetaldehyde_CCSDT-3_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Acetaldehyde
# Comment :
# code :
# code : MRCC
# method : CCSDT-3,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/acetaldehyde_CCSD_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Acetaldehyde
# Comment :
# code :
# code : MRCC
# method : CCSD,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/acetaldehyde_CIS(D)_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Acetaldehyde
# Comment :
# code :
# code : MRCC
# method : CIS(D),aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/acetaldehyde_CIS(D-infty)_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Acetaldehyde
# Comment :
# code :
# code : MRCC
# method : CIS(D∞),aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/acetaldehyde_STEOM_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Acetaldehyde
# Comment :
# code :
# code : MRCC
# method : STEOM,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/acetylene_ADC(2)_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Acetylene
# Comment :
# code :
# code : MRCC
# method : ADC(2),aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/acetylene_ADC(3)_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Acetylene
# Comment :
# code :
# code : MRCC
# method : ADC(3),aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/acetylene_CC(3)_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Acetylene
# Comment :
# code :
# code : MRCC
# method : CC(3),aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/acetylene_CC2_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Acetylene
# Comment :
# code :
# code : MRCC
# method : CC2,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/acetylene_CCSDT-3_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Acetylene
# Comment :
# code :
# code : MRCC
# method : CCSDT-3,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/acetylene_CCSDTQ_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Acetylene
# Comment :
# code :
# code : MRCC
# method : CCSDTQ,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/acetylene_CCSD_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Acetylene
# Comment :
# code :
# code : MRCC
# method : CCSD,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/acetylene_CIS(D)_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Acetylene
# Comment :
# code :
# code : MRCC
# method : CIS(D),aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/acetylene_CIS(D-infty)_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Acetylene
# Comment :
# code :
# code : MRCC
# method : CIS(D∞),aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/acetylene_STEOM_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Acetylene
# Comment :
# code :
# code : MRCC
# method : STEOM,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/ammonia_ADC(2)_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Ammonia
# Comment :
# code :
# code : MRCC
# method : ADC(2),aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/ammonia_ADC(3)_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Ammonia
# Comment :
# code :
# code : MRCC
# method : ADC(3),aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/ammonia_CC(3)_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Ammonia
# Comment :
# code :
# code : MRCC
# method : CC(3),aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/ammonia_CC2_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Ammonia
# Comment :
# code :
# code : MRCC
# method : CC2,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/ammonia_CCSDT-3_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Ammonia
# Comment :
# code :
# code : MRCC
# method : CCSDT-3,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/ammonia_CCSD_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Ammonia
# Comment :
# code :
# code : MRCC
# method : CCSD,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/ammonia_CIS(D)_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Ammonia
# Comment :
# code :
# code : MRCC
# method : CIS(D),aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/ammonia_CIS(D-infty)_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Ammonia
# Comment :
# code :
# code : MRCC
# method : CIS(D∞),aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/ammonia_STEOM_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Ammonia
# Comment :
# code :
# code : MRCC
# method : STEOM,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/carbon_monoxyde_ADC(2)_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Carbon monoxyde
# Comment :
# code :
# code : MRCC
# method : ADC(2),aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/carbon_monoxyde_ADC(3)_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Carbon monoxyde
# Comment :
# code :
# code : MRCC
# method : ADC(3),aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/carbon_monoxyde_CC(3)_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Carbon monoxyde
# Comment :
# code :
# code : MRCC
# method : CC(3),aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/carbon_monoxyde_CC2_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Carbon monoxyde
# Comment :
# code :
# code : MRCC
# method : CC2,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/carbon_monoxyde_CC3_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Carbon monoxyde
# Comment :
# code :
# code : Dalton
# method : CC3,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/carbon_monoxyde_CCSDT-3_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Carbon monoxyde
# Comment :
# code :
# code : MRCC
# method : CCSDT-3,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/carbon_monoxyde_CCSDTQ_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Carbon monoxyde
# Comment :
# code :
# code : MRCC
# method : CCSDTQ,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/carbon_monoxyde_CCSDT_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Carbon monoxyde
# Comment :
# code :
# code : MRCC
# method : CCSDT,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/carbon_monoxyde_CCSD_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Carbon monoxyde
# Comment :
# code :
# code : MRCC
# method : CCSD,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/carbon_monoxyde_CIS(D)_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Carbon monoxyde
# Comment :
# code :
# code : MRCC
# method : CIS(D),aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/carbon_monoxyde_CIS(D-infty)_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Carbon monoxyde
# Comment :
# code :
# code : MRCC
# method : CIS(D∞),aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/carbon_monoxyde_STEOM_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Carbon monoxyde
# Comment :
# code :
# code : MRCC
# method : STEOM,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/cyclopropene_ADC(2)_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Cyclopropene
# Comment :
# code :
# code : MRCC
# method : ADC(2),aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/cyclopropene_ADC(3)_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Cyclopropene
# Comment :
# code :
# code : MRCC
# method : ADC(3),aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/cyclopropene_CC(3)_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Cyclopropene
# Comment :
# code :
# code : MRCC
# method : CC(3),aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/cyclopropene_CC2_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Cyclopropene
# Comment :
# code :
# code : MRCC
# method : CC2,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/cyclopropene_CCSDT-3_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Cyclopropene
# Comment :
# code :
# code : MRCC
# method : CCSDT-3,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/cyclopropene_CCSD_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Cyclopropene
# Comment :
# code :
# code : MRCC
# method : CCSD,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/cyclopropene_CIS(D)_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Cyclopropene
# Comment :
# code :
# code : MRCC
# method : CIS(D),aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/cyclopropene_CIS(D-infty)_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Cyclopropene
# Comment :
# code :
# code : MRCC
# method : CIS(D∞),aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/cyclopropene_STEOM_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Cyclopropene
# Comment :
# code :
# code : MRCC
# method : STEOM,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/diazomethane_ADC(2)_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Diazomethane
# Comment :
# code :
# code : MRCC
# method : ADC(2),aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/diazomethane_ADC(3)_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Diazomethane
# Comment :
# code :
# code : MRCC
# method : ADC(3),aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/diazomethane_CC(3)_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Diazomethane
# Comment :
# code :
# code : MRCC
# method : CC(3),aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/diazomethane_CC2_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Diazomethane
# Comment :
# code :
# code : MRCC
# method : CC2,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/diazomethane_CCSDT-3_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Diazomethane
# Comment :
# code :
# code : MRCC
# method : CCSDT-3,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/diazomethane_CCSD_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Diazomethane
# Comment :
# code :
# code : MRCC
# method : CCSD,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/diazomethane_CIS(D)_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Diazomethane
# Comment :
# code :
# code : MRCC
# method : CIS(D),aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/diazomethane_CIS(D-infty)_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Diazomethane
# Comment :
# code :
# code : MRCC
# method : CIS(D∞),aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/diazomethane_STEOM_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Diazomethane
# Comment :
# code :
# code : MRCC
# method : STEOM,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/dinitrogen_ADC(2)_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Dinitrogen
# Comment :
# code :
# code : MRCC
# method : ADC(2),aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/dinitrogen_ADC(3)_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Dinitrogen
# Comment :
# code :
# code : MRCC
# method : ADC(3),aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/dinitrogen_CC(3)_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Dinitrogen
# Comment :
# code :
# code : MRCC
# method : CC(3),aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/dinitrogen_CC2_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Dinitrogen
# Comment :
# code :
# code : MRCC
# method : CC2,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/dinitrogen_CCSDT-3_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Dinitrogen
# Comment :
# code :
# code : MRCC
# method : CCSDT-3,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/dinitrogen_CCSD_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Dinitrogen
# Comment :
# code :
# code : MRCC
# method : CCSD,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/dinitrogen_CIS(D)_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Dinitrogen
# Comment :
# code :
# code : MRCC
# method : CIS(D),aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/dinitrogen_CIS(D-infty)_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Dinitrogen
# Comment :
# code :
# code : MRCC
# method : CIS(D∞),aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/dinitrogen_STEOM_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Dinitrogen
# Comment :
# code :
# code : MRCC
# method : STEOM,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/ethylene_ADC(2)_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Ethylene
# Comment :
# code :
# code : MRCC
# method : ADC(2),aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/ethylene_ADC(3)_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Ethylene
# Comment :
# code :
# code : MRCC
# method : ADC(3),aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/ethylene_CC(3)_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Ethylene
# Comment :
# code :
# code : MRCC
# method : CC(3),aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/ethylene_CC2_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Ethylene
# Comment :
# code :
# code : MRCC
# method : CC2,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/ethylene_CCSDT-3_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Ethylene
# Comment :
# code :
# code : MRCC
# method : CCSDT-3,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/ethylene_CCSDTQ_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Ethylene
# Comment :
# code :
# code : MRCC
# method : CCSDTQ,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/ethylene_CCSD_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Ethylene
# Comment :
# code :
# code : MRCC
# method : CCSD,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/ethylene_CIS(D)_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Ethylene
# Comment :
# code :
# code : MRCC
# method : CIS(D),aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/ethylene_CIS(D-infty)_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Ethylene
# Comment :
# code :
# code : MRCC
# method : CIS(D∞),aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/ethylene_STEOM_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Ethylene
# Comment :
# code :
# code : MRCC
# method : STEOM,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/formaldehyde_ADC(2)_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Formaldehyde
# Comment :
# code :
# code : MRCC
# method : ADC(2),aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/formaldehyde_ADC(3)_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Formaldehyde
# Comment :
# code :
# code : MRCC
# method : ADC(3),aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/formaldehyde_CC(3)_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Formaldehyde
# Comment :
# code :
# code : MRCC
# method : CC(3),aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/formaldehyde_CC2_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Formaldehyde
# Comment :
# code :
# code : MRCC
# method : CC2,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/formaldehyde_CCSDT-3_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Formaldehyde
# Comment :
# code :
# code : MRCC
# method : CCSDT-3,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/formaldehyde_CCSDTQ_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Formaldehyde
# Comment :
# code :
# code : MRCC
# method : CCSDTQ,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/formaldehyde_CCSD_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Formaldehyde
# Comment :
# code :
# code : MRCC
# method : CCSD,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/formaldehyde_CIS(D)_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Formaldehyde
# Comment :
# code :
# code : MRCC
# method : CIS(D),aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/formaldehyde_CIS(D-infty)_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Formaldehyde
# Comment :
# code :
# code : MRCC
# method : CIS(D∞),aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/formaldehyde_STEOM_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Formaldehyde
# Comment :
# code :
# code : MRCC
# method : STEOM,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/formamide_ADC(2)_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Formamide
# Comment :
# code :
# code : MRCC
# method : ADC(2),aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/formamide_ADC(3)_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Formamide
# Comment :
# code :
# code : MRCC
# method : ADC(3),aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/formamide_CC(3)_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Formamide
# Comment :
# code :
# code : MRCC
# method : CC(3),aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/formamide_CC2_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Formamide
# Comment :
# code :
# code : MRCC
# method : CC2,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/formamide_CCSDT-3_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Formamide
# Comment :
# code :
# code : MRCC
# method : CCSDT-3,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/formamide_CCSD_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Formamide
# Comment :
# code :
# code : MRCC
# method : CCSD,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/formamide_CIS(D)_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Formamide
# Comment :
# code :
# code : MRCC
# method : CIS(D),aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/formamide_CIS(D-infty)_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Formamide
# Comment :
# code :
# code : MRCC
# method : CIS(D∞),aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/formamide_STEOM_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Formamide
# Comment :
# code :
# code : MRCC
# method : STEOM,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/hydrogen_chloride_ADC(2)_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Hydrogen chloride
# Comment :
# code :
# code : MRCC
# method : ADC(2),aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/hydrogen_chloride_ADC(3)_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Hydrogen chloride
# Comment :
# code :
# code : MRCC
# method : ADC(3),aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/hydrogen_chloride_CC(3)_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Hydrogen chloride
# Comment :
# code :
# code : MRCC
# method : CC(3),aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

2
static/data/abs/hydrogen_chloride_CC2_aug-cc-pVTZ.dat
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@ -1,6 +1,6 @@
# Molecule : Hydrogen chloride
# Comment :
# code :
# code : MRCC
# method : CC2,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true

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