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	hartrees
Energy at 0K	-113.262850
Energy at 298.15K
HF Energy	-113.262850
Nuclear repulsion energy	26.904228

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2972	2972	77.63
2	A'	2109	2109	198.72
3	A'	1226	1226	38.56

Atom	x (Å)	y (Å)
C1	0.059	0.572
H2	-0.821	1.249
O3	0.059	-0.585

	C1	H2	O3
C1		1.1102	1.1565
H2	1.1102		2.0338
O3	1.1565	2.0338

Number	Element	Mulliken
1	C	0.394
2	H	-0.018
3	O	-0.376

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

using model chemistry: ROHF/aug-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
	-0.917	1.947	0.000	2.152
CHELPG
AIM
ESP

<r²>	14.022
(<r²>)^1/2	3.745