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	hartrees
Energy at 0K	-187.719195
Energy at 298.15K	-187.719366
HF Energy	-187.719195
Nuclear repulsion energy	59.657342

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	1512	1370	0.00	13.83	0.14	0.24
2	Σ_u	2557	2317	1061.96	0.00	0.00	0.00
3	Π_u	777	705	63.73	0.00	0.00	0.00
3	Π_u	777	705	63.73	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	1.135
O3	0.000	0.000	-1.135

	C1	O2	O3
C1		1.1354	1.1354
O2	1.1354		2.2708
O3	1.1354	2.2708

Number	Element	Mulliken
1	C	0.638
2	O	-0.319
3	O	-0.319

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

using model chemistry: HF/Def2TZVPP

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>	30.817
(<r²>)^1/2	5.551

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

using model chemistry: HF/Def2TZVPP

States and conformations

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