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	hartrees
Energy at 0K	-188.469337
Energy at 298.15K	-188.469403
HF Energy	-188.297064
Nuclear repulsion energy	57.773682

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	1324	1324	0.00	25.25	0.12	0.22
2	Σ_u	2368	2368	593.66	0.00	0.00	0.00
3	Π_u	660	660	25.90	0.00	0.00	0.00
3	Π_u	660	660	25.90	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	1.172
O3	0.000	0.000	-1.172

	C1	O2	O3
C1		1.1724	1.1724
O2	1.1724		2.3448
O3	1.1724	2.3448

Number	Element	Mulliken
1	C	0.365
2	O	-0.183
3	O	-0.183

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

using model chemistry: B2PLYP/aug-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>	32.301
(<r²>)^1/2	5.683

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

using model chemistry: B2PLYP/aug-cc-pVDZ

States and conformations

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