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	hartrees
Energy at 0K	-188.584268
Energy at 298.15K	-188.584353
HF Energy	-188.584268
Nuclear repulsion energy	58.624244

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	1403	1347	0.00	14.51	0.19	0.32
2	Σ_u	2486	2387	658.53	0.00	0.00	0.00
3	Π_u	677	650	34.99	0.00	0.00	0.00
3	Π_u	677	650	34.99	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	1.155
O3	0.000	0.000	-1.155

	C1	O2	O3
C1		1.1554	1.1554
O2	1.1554		2.3108
O3	1.1554	2.3108

Number	Element	Mulliken
1	C	0.523
2	O	-0.262
3	O	-0.262

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

using model chemistry: B1B95/6-311G**

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>	31.358
(<r²>)^1/2	5.600

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

using model chemistry: B1B95/6-311G**

States and conformations

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