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	hartrees
Energy at 0K	-112.600567
Energy at 298.15K
HF Energy	-112.600567
Nuclear repulsion energy	26.533405

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3026	2749	55.18
2	A'	2030	1845	104.44
3	A'	1249	1135	33.17

Atom	x (Å)	y (Å)
C1	0.056	0.582
H2	-0.789	1.275
O3	0.056	-0.596

	C1	H2	O3
C1		1.0936	1.1777
H2	1.0936		2.0534
O3	1.1777	2.0534

Number	Element	Mulliken
1	C	0.259
2	H	0.213
3	O	-0.472

All results from a given calculation for HCO (Formyl radical)

using model chemistry: ROHF/3-21G*

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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	-0.954	2.086	0.000	2.294
CHELPG
AIM
ESP

<r²>	14.120
(<r²>)^1/2	3.758