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	hartrees
Energy at 0K	-37.855860
Energy at 298.15K	-37.858268
HF Energy	-37.855860
Nuclear repulsion energy	38.555279

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3443	3092	10.08
2	A'	3312	2975	26.88
3	A'	1920	1724	132.40
4	A'	1585	1424	21.62
5	A'	1340	1203	17.15
6	A'	568	510	46.45
7	A'	454	408	5.04
8	A"	1293	1161	7.50
9	A"	626	562	0.38

Atom	x (Å)	y (Å)
O1	0.000	0.509
C2	1.068	-0.062
H3	1.103	-1.147
H4	1.973	0.539
O5	-1.185	-0.387

	O1	C2	H3	H4	O5
O1		1.2107	1.9897	1.9730	1.4858
C2	1.2107		1.0859	1.0861	2.2761
H3	1.9897	1.0859		1.8971	2.4106
H4	1.9730	1.0861	1.8971		3.2907
O5	1.4858	2.2761	2.4106	3.2907

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	119.979		O1	C2	H4	118.311
C2	O1	O5	114.767		H3	C2	H4	121.710

All results from a given calculation for H₂COO (Dioxymethyl radical)

using model chemistry: HF/CEP-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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Number	Element	Mulliken
1	O	0.041
2	C	-0.068
3	H	0.226
4	H	0.210
5	O	-0.410

	x	y	z	Total
	5.691	-0.156	0.000	5.693
CHELPG
AIM
ESP

	x	y	z
x	4.362	0.345	0.000
y	0.345	2.184	0.000
z	0.000	0.000	1.294

<r²>	32.369
(<r²>)^1/2	5.689

All results from a given calculation for H2COO (Dioxymethyl radical)

using model chemistry: HF/CEP-31G*

States and conformations

All results from a given calculation for H₂COO (Dioxymethyl radical)