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	hartrees
Energy at 0K	-188.298783
Energy at 298.15K	-188.298701
HF Energy	-188.168381
Nuclear repulsion energy	56.644057

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	Σ_g	1239	1239	0.00	18.60	0.22	0.36
2	Σ_u	2252	2252	386.95	0.00	0.00	0.00
3	Π_u	546	546	21.22	0.00	0.00	0.00
3	Π_u	546	546	21.22	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
O2	0.000	0.000	1.196
O3	0.000	0.000	-1.196

	C1	O2	O3
C1		1.1958	1.1958
O2	1.1958		2.3916
O3	1.1958	2.3916

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

using model chemistry: B2PLYP=FULL/6-31G

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: B2PLYP=FULL/6-31G

States and conformations

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