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	hartrees
Energy at 0K	-113.829124
Energy at 298.15K
HF Energy	-113.829124
Nuclear repulsion energy	26.477679

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'	2709	2709	72.51	204.00	0.37	0.54
2	A'	1957	1957	97.88	16.39	0.54	0.70
3	A'	1096	1096	42.70	4.81	0.38	0.55

Atom	x (Å)	y (Å)
C1	0.062	0.585
H2	-0.871	1.220
O3	0.062	-0.591

	C1	H2	O3
C1		1.1293	1.1765
H2	1.1293		2.0382
O3	1.1765	2.0382

Number	Element	Mulliken
1	C	0.363
2	H	-0.124
3	O	-0.239

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

using model chemistry: wB97X-D/daug-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
	-1.010	1.375	0.000	1.706
CHELPG
AIM
ESP

	x	y	z
x	2.617	-0.151	0.000
y	-0.151	3.197	0.000
z	0.000	0.000	1.990

<r²>	14.255
(<r²>)^1/2	3.776