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	hartrees
Energy at 0K	-112.607638
Energy at 298.15K	-112.607483
HF Energy	-112.607638
Nuclear repulsion energy	25.948540

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2560	2514	79.60
2	A'	1819	1786	41.85
3	A'	1080	1060	26.29

Atom	x (Å)	y (Å)
C1	0.061	0.597
H2	-0.859	1.266
O3	0.061	-0.606

	C1	H2	O3
C1		1.1382	1.2022
H2	1.1382		2.0854
O3	1.2022	2.0854

Number	Element	Mulliken
1	C	0.099
2	H	0.197
3	O	-0.296

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

using model chemistry: LSDA/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
	-1.044	1.112	0.000	1.525
CHELPG
AIM
ESP

	x	y	z
x	1.432	-0.425	0.000
y	-0.425	2.324	0.000
z	0.000	0.000	0.936

<r²>	14.441
(<r²>)^1/2	3.800