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	hartrees
Energy at 0K	-113.288614
Energy at 298.15K
HF Energy	-113.288614
Nuclear repulsion energy	27.086844

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2949	2679	78.12
2	A'	2130	1936	200.76
3	A'	1245	1131	37.14

Atom	x (Å)	y (Å)
C1	0.058	0.567
H2	-0.814	1.244
O3	0.058	-0.581

	C1	H2	O3
C1		1.1036	1.1485
H2	1.1036		2.0225
O3	1.1485	2.0225

Number	Element	Mulliken
1	C	0.347
2	H	0.160
3	O	-0.506

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

using model chemistry: ROHF/6-311+G(3df,2p)

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
	-0.912	1.926	0.000	2.131
CHELPG
AIM
ESP

<r²>	13.898
(<r²>)^1/2	3.728