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	hartrees
Energy at 0K	-187.639174
Energy at 298.15K	-187.639223
HF Energy	-187.639174
Nuclear repulsion energy	57.953044

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	1351	1351	0.00
2	Σ_u	2444	2444	478.99
3	Π_u	638	638	22.32
3	Π_u	638	638	22.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
O2	0.000	0.000	1.169
O3	0.000	0.000	-1.169

	C1	O2	O3
C1		1.1688	1.1688
O2	1.1688		2.3376
O3	1.1688	2.3376

Number	Element	Mulliken
1	C	0.213
2	O	-0.107
3	O	-0.107

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

using model chemistry: SVWN/cc-pCVDZ

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>	31.726
(<r²>)^1/2	5.633

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

using model chemistry: SVWN/cc-pCVDZ

States and conformations

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