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	hartrees
Energy at 0K	-113.290832
Energy at 298.15K
HF Energy	-113.290832
Nuclear repulsion energy	27.055668

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2953	2953	78.85
2	A'	2122	2122	203.67
3	A'	1245	1245	36.10

Atom	x (Å)	y (Å)
C1	0.058	0.568
H2	-0.813	1.245
O3	0.058	-0.582

	C1	H2	O3
C1		1.1029	1.1501
H2	1.1029		2.0237
O3	1.1501	2.0237

Number	Element	Mulliken
1	C	-0.172
2	H	0.498
3	O	-0.326

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

using model chemistry: ROHF/aug-cc-pVTZ

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
	-0.908	1.918	0.000	2.122
CHELPG
AIM
ESP

<r²>	13.911
(<r²>)^1/2	3.730