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	hartrees
Energy at 0K	-188.586280
Energy at 298.15K	-188.586304
HF Energy	-188.586280
Nuclear repulsion energy	57.361890

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	1296	1296	0.00
2	Σ_u	2329	2329	458.35
3	Π_u	618	618	20.01
3	Π_u	618	618	20.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
O2	0.000	0.000	1.181
O3	0.000	0.000	-1.181

	C1	O2	O3
C1		1.1808	1.1808
O2	1.1808		2.3617
O3	1.1808	2.3617

Number	Element	Mulliken
1	C	0.219
2	O	-0.110
3	O	-0.110

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

using model chemistry: BLYP/cc-pCVDZ

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>	32.197
(<r²>)^1/2	5.674

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

using model chemistry: BLYP/cc-pCVDZ

States and conformations

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