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	hartrees
Energy at 0K	-37.629716
Energy at 298.15K	-37.629748
HF Energy	-37.629716
Nuclear repulsion energy	29.537912

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	1361	1314	0.00	17.19	0.18	0.30
2	Σ_u	2405	2323	671.82	0.00	0.00	0.00
3	Π_u	635	614	28.56	0.00	0.00	0.00
3	Π_u	635	614	28.56	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	1.182
O3	0.000	0.000	-1.182

	C1	O2	O3
C1		1.1824	1.1824
O2	1.1824		2.3648
O3	1.1824	2.3648

Number	Element	Mulliken
1	C	0.064
2	O	-0.032
3	O	-0.032

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

using model chemistry: B3LYP/CEP-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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<r²>	26.863
(<r²>)^1/2	5.183

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

using model chemistry: B3LYP/CEP-31G*

States and conformations

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