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	hartrees
Energy at 0K	-38.625564
Energy at 298.15K	-38.628140
HF Energy	-38.625564
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3313	3313	3.43
2	A'	3166	3166	1.49
3	A'	1575	1575	32.07
4	A'	1421	1421	11.21
5	A'	1249	1249	20.80
6	A'	960	960	114.04
7	A'	521	521	0.18
8	A"	947	947	58.94
9	A"	670	670	3.36

Atom	x (Å)	y (Å)
O1	0.000	0.466
C2	1.072	-0.200
H3	1.021	-1.293
H4	1.993	0.387
O5	-1.181	-0.203

	O1	C2	H3	H4	O5
O1		1.2619	2.0333	1.9948	1.3569
C2	1.2619		1.0945	1.0917	2.2534
H3	2.0333	1.0945		1.9407	2.4571
H4	1.9948	1.0917	1.9407		3.2285
O5	1.3569	2.2534	2.4571	3.2285

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	119.113		O1	C2	H4	115.710
C2	O1	O5	118.694		H3	C2	H4	125.177

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

using model chemistry: wB97X-D/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	0.200
2	C	-0.311
3	H	0.248
4	H	0.245
5	O	-0.382

	x	y	z	Total
	4.536	-0.427	0.000	4.556
CHELPG
AIM
ESP

	x	y	z
x	5.970	-0.014	0.000
y	-0.014	2.161	0.000
z	0.000	0.000	1.446

<r²>	31.749
(<r²>)^1/2	5.635

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

using model chemistry: wB97X-D/CEP-31G*

States and conformations

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