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	hartrees
Energy at 0K	-188.626461
Energy at 298.15K	-188.626490
HF Energy	-188.626461
Nuclear repulsion energy	57.694526

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	1308	1305	0.00	15.28	0.20	0.33
2	Σ_u	2344	2338	494.22	0.00	0.00	0.00
3	Π_u	630	629	23.67	0.00	0.00	0.00
3	Π_u	630	629	23.67	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	1.174
O3	0.000	0.000	-1.174

	C1	O2	O3
C1		1.1740	1.1740
O2	1.1740		2.3480
O3	1.1740	2.3480

Number	Element	Mulliken
1	C	0.431
2	O	-0.216
3	O	-0.216

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

using model chemistry: BLYP/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>	32.127
(<r²>)^1/2	5.668

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

using model chemistry: BLYP/6-311G*

States and conformations

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