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	hartrees
Energy at 0K	-188.474053
Energy at 298.15K	-188.474151
HF Energy	-188.474053
Nuclear repulsion energy	58.596419

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	1396	1396	0.00	19.81	0.11	0.20
2	Σ_u	2456	2456	687.88	0.00	0.00	0.00
3	Π_u	691	691	32.63	0.00	0.00	0.00
3	Π_u	691	691	32.63	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		1.1560	1.1560
O2	1.1560		2.3119
O3	1.1560	2.3119

Number	Element	Mulliken
1	C	1.096
2	O	-0.548
3	O	-0.548

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

using model chemistry: HSEh1PBE/6-311+G(3df,2p)

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>	31.535
(<r²>)^1/2	5.616

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

using model chemistry: HSEh1PBE/6-311+G(3df,2p)

States and conformations

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