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	hartrees
Energy at 0K	-113.254785
Energy at 298.15K
HF Energy	-113.254785
Nuclear repulsion energy	26.913224

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2954	2542	89.68
2	A'	2144	1846	179.22
3	A'	1239	1067	40.08

Atom	x (Å)	y (Å)
C1	0.059	0.572
H2	-0.829	1.243
O3	0.059	-0.584

	C1	H2	O3
C1		1.1139	1.1556
H2	1.1139		2.0320
O3	1.1556	2.0320

Number	Element	Mulliken
1	C	0.122
2	H	0.078
3	O	-0.200

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

using model chemistry: ROHF/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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	-0.853	1.877	0.000	2.061
CHELPG
AIM
ESP

<r²>	13.845
(<r²>)^1/2	3.721