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	hartrees
Energy at 0K	-37.559208
Energy at 298.15K	-37.559199
HF Energy	-37.559208
Nuclear repulsion energy	29.215146

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	1268	1205	0.00
2	Σ_u	2260	2147	599.10
3	Π_u	593	564	27.45
3	Π_u	593	564	27.45

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
O2	0.000	0.000	1.195
O3	0.000	0.000	-1.195

	C1	O2	O3
C1		1.1955	1.1955
O2	1.1955		2.3909
O3	1.1955	2.3909

Number	Element	Mulliken
1	C	0.140
2	O	-0.070
3	O	-0.070

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

using model chemistry: mPW1PW91/CEP-121G

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>	27.609
(<r²>)^1/2	5.254

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

using model chemistry: mPW1PW91/CEP-121G

States and conformations

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