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	hartrees
Energy at 0K	-186.911683
Energy at 298.15K	-186.911610
HF Energy	-186.554584
Nuclear repulsion energy	56.606798

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	1241	1181	0.00	22.83	0.24	0.39
2	Σ_u	2347	2233	265.14	0.00	0.00	0.00
3	Π_u	552	525	15.22	0.00	0.00	0.00
3	Π_u	552	525	15.22	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	1.197
O3	0.000	0.000	-1.197

	C1	O2	O3
C1		1.1966	1.1966
O2	1.1966		2.3932
O3	1.1966	2.3932

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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