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	hartrees
Energy at 0K	-188.490370
Energy at 298.15K	-188.490463
HF Energy	-188.490370
Nuclear repulsion energy	58.611851

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	1393	1393	0.00
2	Σ_u	2450	2450	664.09
3	Π_u	687	687	31.97
3	Π_u	687	687	31.97

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
O2	0.000	0.000	1.156
O3	0.000	0.000	-1.156

	C1	O2	O3
C1		1.1556	1.1556
O2	1.1556		2.3113
O3	1.1556	2.3113

Number	Element	Mulliken
1	C	0.598
2	O	-0.299
3	O	-0.299

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

using model chemistry: HSEh1PBE/cc-pVQZ

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>	31.464
(<r²>)^1/2	5.609

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

using model chemistry: HSEh1PBE/cc-pVQZ

States and conformations

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