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	hartrees
Energy at 0K	-187.509526
Energy at 298.15K	-187.509458
HF Energy	-187.509526
Nuclear repulsion energy	56.556195

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	1231	1225	0.00	12.04	0.23	0.37
2	Σ_u	2252	2239	260.41	0.00	0.00	0.00
3	Π_u	555	552	13.37	0.00	0.00	0.00
3	Π_u	555	552	13.37	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	1.198
O3	0.000	0.000	-1.198

	C1	O2	O3
C1		1.1977	1.1977
O2	1.1977		2.3953
O3	1.1977	2.3953

Number	Element	Mulliken
1	C	0.743
2	O	-0.372
3	O	-0.372

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

using model chemistry: BLYP/3-21G

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>	32.980
(<r²>)^1/2	5.743

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

using model chemistry: BLYP/3-21G

States and conformations

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