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	hartrees
Energy at 0K	-188.541722
Energy at 298.15K	-188.541806
HF Energy	-188.541722
Nuclear repulsion energy	58.291826

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	1395	1395	0.00
2	Σ_u	2469	2469	648.92
3	Π_u	671	671	33.80
3	Π_u	671	671	33.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
O2	0.000	0.000	1.162
O3	0.000	0.000	-1.162

	C1	O2	O3
C1		1.1620	1.1620
O2	1.1620		2.3240
O3	1.1620	2.3240

Number	Element	Mulliken
1	C	0.333
2	O	-0.167
3	O	-0.167

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

using model chemistry: wB97X-D/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>	31.511
(<r²>)^1/2	5.613

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

using model chemistry: wB97X-D/cc-pCVDZ

States and conformations

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