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	hartrees
Energy at 0K	-188.296534
Energy at 298.15K	-188.296662
HF Energy	-187.724491
Nuclear repulsion energy	59.055449

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	1444	1444	0.00
2	Σ_u	2497	2497	856.92
3	Π_u	724	724	41.18
3	Π_u	724	724	41.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
O2	0.000	0.000	1.147
O3	0.000	0.000	-1.147

	C1	O2	O3
C1		1.1470	1.1470
O2	1.1470		2.2939
O3	1.1470	2.2939

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

using model chemistry: CISD/aug-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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All results from a given calculation for CO2 (Carbon dioxide)

using model chemistry: CISD/aug-cc-pVQZ

States and conformations

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