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	hartrees
Energy at 0K	-37.788920
Energy at 298.15K	-37.791139
HF Energy	-37.788920
Nuclear repulsion energy	36.906635

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3440	3101	19.45
2	A'	3308	2982	23.88
3	A'	1830	1649	132.40
4	A'	1599	1442	46.89
5	A'	1346	1213	13.97
6	A'	501	451	95.16
7	A'	357	322	1.76
8	A"	1308	1179	13.70
9	A"	539	486	0.95

Atom	x (Å)	y (Å)
O1	0.000	0.524
C2	1.125	0.025
H3	1.243	-1.052
H4	1.989	0.676
O5	-1.248	-0.496

	O1	C2	H3	H4	O5
O1		1.2304	2.0069	1.9951	1.6110
C2	1.2304		1.0835	1.0823	2.4287
H3	2.0069	1.0835		1.8827	2.5516
H4	1.9951	1.0823	1.8827		3.4423
O5	1.6110	2.4287	2.5516	3.4423

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	120.163		O1	C2	H4	119.090
C2	O1	O5	116.829		H3	C2	H4	120.747

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	-0.124
2	C	0.000
3	H	0.206
4	H	0.198
5	O	-0.280

	x	y	z	Total
	5.629	-0.378	0.000	5.641
CHELPG
AIM
ESP

	x	y	z
x	4.402	0.466	0.000
y	0.466	2.064	0.000
z	0.000	0.000	1.024

<r²>	34.861
(<r²>)^1/2	5.904

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)