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	hartrees
Energy at 0K	-187.693682
Energy at 298.15K	-187.693854
HF Energy	-187.693682
Nuclear repulsion energy	59.339616

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	1509	1378	0.00
2	Σ_u	2573	2349	1079.76
3	Π_u	772	705	60.66
3	Π_u	772	705	60.66

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
O2	0.000	0.000	1.141
O3	0.000	0.000	-1.141

	C1	O2	O3
C1		1.1415	1.1415
O2	1.1415		2.2830
O3	1.1415	2.2830

Number	Element	Mulliken
1	C	0.345
2	O	-0.172
3	O	-0.172

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

using model chemistry: HF/Sadlej_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>	31.090
(<r²>)^1/2	5.576

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

using model chemistry: HF/Sadlej_pVTZ

States and conformations

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