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	hartrees
Energy at 0K	-188.542305
Energy at 298.15K	-188.542375
HF Energy	-188.342360
Nuclear repulsion energy	58.174282

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	1345	1290	0.00	20.10	0.17	0.28
2	Σ_u	2404	2306	563.96	0.00	0.00	0.00
3	Π_u	664	637	28.71	0.00	0.00	0.00
3	Π_u	664	637	28.71	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	1.164
O3	0.000	0.000	-1.164

	C1	O2	O3
C1		1.1643	1.1643
O2	1.1643		2.3287
O3	1.1643	2.3287

Number	Element	Mulliken
1	C	0.357
2	O	-0.178
3	O	-0.178

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

using model chemistry: B2PLYP/cc-pVTZ

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>	31.802
(<r²>)^1/2	5.639

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

using model chemistry: B2PLYP/cc-pVTZ

States and conformations

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