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	hartrees
Energy at 0K	-188.526940
Energy at 298.15K	-188.527008
HF Energy	-188.526940
Nuclear repulsion energy	58.153260

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	1394	1327	0.00	18.85	0.16	0.28
2	Σ_u	2456	2339	715.66	0.00	0.00	0.00
3	Π_u	663	632	36.16	0.00	0.00	0.00
3	Π_u	663	632	36.16	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	1.165
O3	0.000	0.000	-1.165

	C1	O2	O3
C1		1.1648	1.1648
O2	1.1648		2.3295
O3	1.1648	2.3295

Number	Element	Mulliken
1	C	0.750
2	O	-0.375
3	O	-0.375

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

using model chemistry: wB97X-D/6-31+G**

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>	31.953
(<r²>)^1/2	5.653

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

using model chemistry: wB97X-D/6-31+G**

States and conformations

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