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	hartrees
Energy at 0K	-188.460395
Energy at 298.15K	-188.460492
HF Energy	-188.460395
Nuclear repulsion energy	58.541918

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	1393	1393	0.00
2	Σ_u	2455	2455	636.27
3	Π_u	686	686	32.75
3	Π_u	686	686	32.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
O2	0.000	0.000	1.157
O3	0.000	0.000	-1.157

	C1	O2	O3
C1		1.1570	1.1570
O2	1.1570		2.3141
O3	1.1570	2.3141

Number	Element	Mulliken
1	C	0.445
2	O	-0.222
3	O	-0.222

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

using model chemistry: PBE1PBE/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>	31.449
(<r²>)^1/2	5.608

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

using model chemistry: PBE1PBE/cc-pCVTZ

States and conformations

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