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	hartrees
Energy at 0K	-188.641139
Energy at 298.15K	-188.641212
HF Energy	-188.641139
Nuclear repulsion energy	58.370044

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	1376	1330	0.00
2	Σ_u	2436	2355	618.72
3	Π_u	667	644	32.79
3	Π_u	667	644	32.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
O2	0.000	0.000	1.160
O3	0.000	0.000	-1.160

	C1	O2	O3
C1		1.1604	1.1604
O2	1.1604		2.3209
O3	1.1604	2.3209

Number	Element	Mulliken
1	C	0.497
2	O	-0.248
3	O	-0.248

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

using model chemistry: B3LYPultrafine/6-311G**

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>	31.617
(<r²>)^1/2	5.623

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

using model chemistry: B3LYPultrafine/6-311G**

States and conformations

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