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	hartrees
Energy at 0K	-113.672419
Energy at 298.15K
HF Energy	-113.596941
Nuclear repulsion energy	25.813271

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'	2804	2804	79.97	161.35	0.33	0.50
2	A'	1760	1760	42.96	13.84	0.42	0.59
3	A'	1139	1139	33.31	14.85	0.74	0.85

Atom	x (Å)	y (Å)
C1	0.060	0.604
H2	-0.845	1.255
O3	0.060	-0.610

	C1	H2	O3
C1		1.1149	1.2140
H2	1.1149		2.0731
O3	1.2140	2.0731

Number	Element	Mulliken
1	C	0.141
2	H	0.149
3	O	-0.290

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

using model chemistry: B2PLYP/6-31G

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
	-1.058	1.572	0.000	1.894
CHELPG
AIM
ESP

	x	y	z
x	1.468	-0.351	0.000
y	-0.351	2.651	0.000
z	0.000	0.000	0.985

<r²>	14.567
(<r²>)^1/2	3.817