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	hartrees
Energy at 0K	-37.860609
Energy at 298.15K	-37.863032
HF Energy	-37.860609
Nuclear repulsion energy	38.651958

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3404	3075	4.11
2	A'	3272	2956	16.74
3	A'	1896	1713	120.28
4	A'	1585	1432	22.03
5	A'	1347	1216	18.28
6	A'	567	513	45.03
7	A'	458	414	5.81
8	A"	1297	1172	5.68
9	A"	631	570	0.41

Atom	x (Å)	y (Å)
O1	0.000	0.508
C2	1.065	-0.060
H3	1.101	-1.141
H4	1.967	0.539
O5	-1.182	-0.388

	O1	C2	H3	H4	O5
O1		1.2067	1.9833	1.9671	1.4834
C2	1.2067		1.0823	1.0827	2.2710
H3	1.9833	1.0823		1.8904	2.4047
H4	1.9671	1.0827	1.8904		3.2828
O5	1.4834	2.2710	2.4047	3.2828

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	119.991		O1	C2	H4	118.352
C2	O1	O5	114.783		H3	C2	H4	121.657

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

using model chemistry: HF/CEP-121G*

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	-0.057
2	C	0.068
3	H	0.213
4	H	0.201
5	O	-0.425

	x	y	z	Total
	5.637	-0.094	0.000	5.637
CHELPG
AIM
ESP

	x	y	z
x	4.528	0.333	0.000
y	0.333	2.423	0.000
z	0.000	0.000	1.416

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

using model chemistry: HF/CEP-121G*

States and conformations

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