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	hartrees
Energy at 0K	-113.085887
Energy at 298.15K
HF Energy	-113.085887
Nuclear repulsion energy	25.742750

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'	2545	2522	91.97	125.39	0.32	0.49
2	A'	1758	1742	39.65	10.14	0.37	0.54
3	A'	1079	1069	25.56	17.61	0.72	0.84

Atom	x (Å)	y (Å)
C1	0.062	0.603
H2	-0.863	1.266
O3	0.062	-0.611

	C1	H2	O3
C1		1.1371	1.2138
H2	1.1371		2.0916
O3	1.2138	2.0916

Number	Element	Mulliken
1	C	0.123
2	H	0.189
3	O	-0.312

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

using model chemistry: PBEPBE/3-21G

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
	-1.006	1.117	0.000	1.503
CHELPG
AIM
ESP

	x	y	z
x	1.443	-0.401	0.000
y	-0.401	2.373	0.000
z	0.000	0.000	0.932

<r²>	14.548
(<r²>)^1/2	3.814