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	hartrees
Energy at 0K	-187.717924
Energy at 298.15K
HF Energy	-187.717924
Nuclear repulsion energy	58.368641

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	1359	1359	0.00
2	Σ_u	2430	2430	542.83
3	Π_u	656	656	24.99
3	Π_u	656	656	24.99

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		1.1605	1.1605
O2	1.1605		2.3209
O3	1.1605	2.3209

Number	Element	Mulliken
1	C	0.414
2	O	-0.207
3	O	-0.207

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

using model chemistry: LSDA/cc-pCVQZ

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>	31.674
(<r²>)^1/2	5.628

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

using model chemistry: LSDA/cc-pCVQZ

States and conformations

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