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	hartrees
Energy at 0K	-187.703799
Energy at 298.15K	-187.703865
HF Energy	-187.703799
Nuclear repulsion energy	58.310556

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	1359	1359	0.00
2	Σ_u	2434	2434	516.89
3	Π_u	656	656	25.75
3	Π_u	656	656	25.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
O2	0.000	0.000	1.162
O3	0.000	0.000	-1.162

	C1	O2	O3
C1		1.1616	1.1616
O2	1.1616		2.3232
O3	1.1616	2.3232

Number	Element	Mulliken
1	C	0.366
2	O	-0.183
3	O	-0.183

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

using model chemistry: LSDA/cc-pCVTZ

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>	31.659
(<r²>)^1/2	5.627

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

using model chemistry: LSDA/cc-pCVTZ

States and conformations

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