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	hartrees
Energy at 0K	-36.800699
Energy at 298.15K	-36.800784
HF Energy	-36.800699
Nuclear repulsion energy	29.775552

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	1370	1250	0.00	14.66	0.16	0.27
2	Σ_u	2301	2100	1083.36	0.00	0.00	0.00
3	Π_u	676	617	66.56	0.00	0.00	0.00
3	Π_u	676	617	66.56	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	1.173
O3	0.000	0.000	-1.173

	C1	O2	O3
C1		1.1730	1.1730
O2	1.1730		2.3459
O3	1.1730	2.3459

Number	Element	Mulliken
1	C	0.337
2	O	-0.169
3	O	-0.169

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

using model chemistry: HF/CEP-121G

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>	27.293
(<r²>)^1/2	5.224

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

using model chemistry: HF/CEP-121G

States and conformations

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