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	hartrees
Energy at 0K	-188.416913
Energy at 298.15K	-188.416989
HF Energy	-188.416913
Nuclear repulsion energy	58.229972

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	1388	1335	0.00	14.21	0.19	0.32
2	Σ_u	2470	2376	613.63	0.00	0.00	0.00
3	Π_u	669	643	30.84	0.00	0.00	0.00
3	Π_u	669	643	30.84	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	1.163
O3	0.000	0.000	-1.163

	C1	O2	O3
C1		1.1632	1.1632
O2	1.1632		2.3265
O3	1.1632	2.3265

Number	Element	Mulliken
1	C	0.318
2	O	-0.159
3	O	-0.159

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

using model chemistry: HSEh1PBE/cc-pVDZ

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>	31.542
(<r²>)^1/2	5.616

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

using model chemistry: HSEh1PBE/cc-pVDZ

States and conformations

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