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	hartrees
Energy at 0K	-188.582821
Energy at 298.15K	-188.582906
HF Energy	-188.582821
Nuclear repulsion energy	58.432806

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	1381	1328	0.00
2	Σ_u	2441	2348	630.81
3	Π_u	676	650	31.33
3	Π_u	676	650	31.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
O2	0.000	0.000	1.159
O3	0.000	0.000	-1.159

	C1	O2	O3
C1		1.1592	1.1592
O2	1.1592		2.3184
O3	1.1592	2.3184

Number	Element	Mulliken
1	C	0.363
2	O	-0.182
3	O	-0.182

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

using model chemistry: B3PW91/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>	31.526
(<r²>)^1/2	5.615

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

using model chemistry: B3PW91/cc-pVTZ

States and conformations

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