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Fix carbon monoxide

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This commit is contained in:
Mickaël Véril 2020-10-02 09:58:01 +02:00
parent 8fbbd8f5ee
commit 7bf1d262e8
7 changed files with 7 additions and 7 deletions
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2
static/data/abs/carbon_monoxide_CC3(Full)_aug-cc-pV5Z.dat
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@ -18,4 +18,4 @@
1 1 \Sigma^+ 1 3 \Sigma^+ (\mathrm{V}; \pi \rightarrow \pi^\star) 8.48 _ _ false
1 1 \Sigma^+ 1 3 \Delta (\mathrm{V}; \pi \rightarrow \pi^\star) 9.30 _ _ false
1 1 \Sigma^+ 1 3 \Sigma^- (\mathrm{V}; \pi \rightarrow \pi^\star) 9.81 _ _ false
1 1 \Sigma^+ 2 3 \Sigma^- (\mathrm{R}) 10.42 _ _ false
1 1 \Sigma^+ 2 3 \Sigma^+ (\mathrm{R}) 10.42 _ _ false

2
static/data/abs/carbon_monoxide_CC3(Full)_aug-cc-pVQZ.dat
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@ -18,4 +18,4 @@
1 1 \Sigma^+ 1 3 \Sigma^+ (\mathrm{V}; \pi \rightarrow \pi^\star) 8.47 _ _ false
1 1 \Sigma^+ 1 3 \Delta (\mathrm{V}; \pi \rightarrow \pi^\star) 9.30 _ _ false
1 1 \Sigma^+ 1 3 \Sigma^- (\mathrm{V}; \pi \rightarrow \pi^\star) 9.81 _ _ false
1 1 \Sigma^+ 2 3 \Sigma^- (\mathrm{R}) 10.45 _ _ false
1 1 \Sigma^+ 2 3 \Sigma^+ (\mathrm{R}) 10.45 _ _ false

2
static/data/abs/carbon_monoxide_CC3(Full)_d-aug-cc-pV5Z.dat
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@ -18,4 +18,4 @@
1 1 \Sigma^+ 1 3 \Sigma^+ (\mathrm{V}; \pi \rightarrow \pi^\star) 8.48 _ _ false
1 1 \Sigma^+ 1 3 \Delta (\mathrm{V}; \pi \rightarrow \pi^\star) 9.30 _ _ false
1 1 \Sigma^+ 1 3 \Sigma^- (\mathrm{V}; \pi \rightarrow \pi^\star) 9.81 _ _ false
1 1 \Sigma^+ 2 3 \Sigma^- (\mathrm{R}) 10.35 _ _ false
1 1 \Sigma^+ 2 3 \Sigma^+ (\mathrm{R}) 10.35 _ _ false

2
static/data/abs/carbon_monoxide_CC3(Full)_d-aug-cc-pVQZ.dat
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@ -18,4 +18,4 @@
1 1 \Sigma^+ 1 3 \Sigma^+ (\mathrm{V}; \pi \rightarrow \pi^\star) 8.47 _ _ false
1 1 \Sigma^+ 1 3 \Delta (\mathrm{V}; \pi \rightarrow \pi^\star) 9.30 _ _ false
1 1 \Sigma^+ 1 3 \Sigma^- (\mathrm{V}; \pi \rightarrow \pi^\star) 9.81 _ _ false
1 1 \Sigma^+ 2 3 \Sigma^- (\mathrm{R}) 10.33 _ _ false
1 1 \Sigma^+ 2 3 \Sigma^+ (\mathrm{R}) 10.33 _ _ false

2
static/data/abs/carbon_monoxide_CC3(Full)_t-aug-cc-pVQZ.dat
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@ -18,4 +18,4 @@
1 1 \Sigma^+ 1 3 \Sigma^+ (\mathrm{V}; \pi \rightarrow \pi^\star) 8.47 _ _ false
1 1 \Sigma^+ 1 3 \Delta (\mathrm{V}; \pi \rightarrow \pi^\star) 9.30 _ _ false
1 1 \Sigma^+ 1 3 \Sigma^- (\mathrm{V}; \pi \rightarrow \pi^\star) 9.81 _ _ false
1 1 \Sigma^+ 2 3 \Sigma^- (\mathrm{R}) 10.34 _ _ false
1 1 \Sigma^+ 2 3 \Sigma^+ (\mathrm{R}) 10.34 _ _ false

2
static/data/abs/carbon_monoxide_CC3_d-aug-cc-pVQZ.dat
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@ -18,4 +18,4 @@
1 1 \Sigma^+ 1 3 \Sigma^+ (\mathrm{V}; \pi \rightarrow \pi^\star) 8.48 _ _ false
1 1 \Sigma^+ 1 3 \Delta (\mathrm{V}; \pi \rightarrow \pi^\star) 9.31 _ _ false
1 1 \Sigma^+ 1 3 \Sigma^- (\mathrm{V}; \pi \rightarrow \pi^\star) 9.81 _ _ false
1 1 \Sigma^+ 2 3 \Sigma^- (\mathrm{R}) 10.33 _ _ false
1 1 \Sigma^+ 2 3 \Sigma^+ (\mathrm{R}) 10.33 _ _ false

2
static/data/abs/carbon_monoxide_CC3_t-aug-cc-pVQZ.dat
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@ -18,4 +18,4 @@
1 1 \Sigma^+ 1 3 \Sigma^+ (\mathrm{V}; \pi \rightarrow \pi^\star) 8.48 _ _ false
1 1 \Sigma^+ 1 3 \Delta (\mathrm{V}; \pi \rightarrow \pi^\star) 9.31 _ _ false
1 1 \Sigma^+ 1 3 \Sigma^- (\mathrm{V}; \pi \rightarrow \pi^\star) 9.82 _ _ false
1 1 \Sigma^+ 2 3 \Sigma^- (\mathrm{R}) 10.33 _ _ false
1 1 \Sigma^+ 2 3 \Sigma^+ (\mathrm{R}) 10.33 _ _ false