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	hartrees
Energy at 0K	-188.576717
Energy at 298.15K	-188.576804
HF Energy	-188.576717
Nuclear repulsion energy	58.583746

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	Σ_g	1406	1345	0.00	14.58	0.19	0.32
2	Σ_u	2483	2375	684.75	0.00	0.00	0.00
3	Π_u	679	649	37.15	0.00	0.00	0.00
3	Π_u	679	649	37.15	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
O2	0.000	0.000	1.156
O3	0.000	0.000	-1.156

	C1	O2	O3
C1		1.1562	1.1562
O2	1.1562		2.3124
O3	1.1562	2.3124

Number	Element	Mulliken
1	C	0.534
2	O	-0.267
3	O	-0.267

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

using model chemistry: wB97X-D/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>	31.425
(<r²>)^1/2	5.606

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

using model chemistry: wB97X-D/6-311G**

States and conformations

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