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	hartrees
Energy at 0K	-188.547243
Energy at 298.15K	-188.547319
HF Energy	-188.547243
Nuclear repulsion energy	58.304641

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	1393	1339	0.00	14.15	0.19	0.33
2	Σ_u	2476	2380	622.99	0.00	0.00	0.00
3	Π_u	669	643	31.39	0.00	0.00	0.00
3	Π_u	669	643	31.39	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	1.162
O3	0.000	0.000	-1.162

	C1	O2	O3
C1		1.1617	1.1617
O2	1.1617		2.3235
O3	1.1617	2.3235

Number	Element	Mulliken
1	C	0.321
2	O	-0.161
3	O	-0.161

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

using model chemistry: B1B95/cc-pVDZ

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>	31.461
(<r²>)^1/2	5.609

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

using model chemistry: B1B95/cc-pVDZ

States and conformations

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