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	hartrees
Energy at 0K	-113.733640
Energy at 298.15K
HF Energy	-113.733640
Nuclear repulsion energy	26.146191

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	2521	2507	107.23	190.10	0.34	0.50
2	A'	1871	1860	73.75	15.03	0.57	0.73
3	A'	1061	1055	32.56	16.68	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.064	0.593
H2	-0.898	1.224
O3	0.064	-0.598

	C1	H2	O3
C1		1.1503	1.1908
H2	1.1503		2.0602
O3	1.1908	2.0602

Number	Element	Mulliken
1	C	-0.007
2	H	0.066
3	O	-0.059

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

using model chemistry: PBEPBE/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
	-0.866	1.011	0.000	1.331
CHELPG
AIM
ESP

	x	y	z
x	1.915	-0.434	0.000
y	-0.434	2.566	0.000
z	0.000	0.000	1.185

<r²>	14.271
(<r²>)^1/2	3.778