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	hartrees
Energy at 0K	-189.583522
Energy at 298.15K	-189.586141
HF Energy	-189.583522
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3302	3153	0.73
2	A'	3148	3007	4.96
3	A'	1587	1516	37.03
4	A'	1426	1362	12.86
5	A'	1261	1204	20.63
6	A'	948	905	129.59
7	A'	543	519	0.20
8	A"	962	918	41.03
9	A"	689	658	2.89

Atom	x (Å)	y (Å)
O1	0.000	0.455
C2	1.061	-0.201
H3	1.013	-1.285
H4	1.971	0.384
O5	-1.169	-0.192

	O1	C2	H3	H4	O5
O1		1.2477	2.0133	1.9722	1.3364
C2	1.2477		1.0851	1.0816	2.2301
H3	2.0133	1.0851		1.9247	2.4396
H4	1.9722	1.0816	1.9247		3.1923
O5	1.3364	2.2301	2.4396	3.1923

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	119.160		O1	C2	H4	115.519
C2	O1	O5	119.273		H3	C2	H4	125.320

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

using model chemistry: wB97X-D/TZVP

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	0.086
2	C	-0.004
3	H	0.155
4	H	0.150
5	O	-0.387

	x	y	z	Total
	4.469	-0.341	0.000	4.482
CHELPG
AIM
ESP

	x	y	z
x	6.167	-0.025	0.000
y	-0.025	2.511	0.000
z	0.000	0.000	1.692

<r²>	37.084
(<r²>)^1/2	6.090

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

using model chemistry: wB97X-D/TZVP

States and conformations

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