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	hartrees
Energy at 0K	-188.350447
Energy at 298.15K
HF Energy	-187.723595
Nuclear repulsion energy	58.755106

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	1414	1414	0.00
2	Σ_u	2460	2460	797.39
3	Π_u	703	703	35.97
3	Π_u	703	703	35.97

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
O2	0.000	0.000	1.153
O3	0.000	0.000	-1.153

	C1	O2	O3
C1		1.1528	1.1528
O2	1.1528		2.3057
O3	1.1528	2.3057

All results from a given calculation for CO₂ (Carbon dioxide)

using model chemistry: CCD/cc-pCVQZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CO2 (Carbon dioxide)

using model chemistry: CCD/cc-pCVQZ

States and conformations

All results from a given calculation for CO₂ (Carbon dioxide)