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	hartrees
Energy at 0K	-189.462298
Energy at 298.15K	-189.464882
HF Energy	-189.276795
Nuclear repulsion energy	70.175505

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3332	3332	0.56
2	A'	3166	3166	3.62
3	A'	1501	1501	26.93
4	A'	1350	1350	82.88
5	A'	1267	1267	23.51
6	A'	1009	1009	106.53
7	A'	550	550	0.38
8	A"	836	836	44.16
9	A"	672	672	9.52

Atom	x (Å)	y (Å)
O1	0.000	0.455
C2	1.072	-0.231
H3	0.995	-1.312
H4	1.982	0.348
O5	-1.176	-0.161

	O1	C2	H3	H4	O5
O1		1.2727	2.0277	1.9852	1.3277
C2	1.2727		1.0831	1.0795	2.2487
H3	2.0277	1.0831		1.9315	2.4569
H4	1.9852	1.0795	1.9315		3.1991
O5	1.3277	2.2487	2.4569	3.1991

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	118.581		O1	C2	H4	114.879
C2	O1	O5	119.693		H3	C2	H4	126.540

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

using model chemistry: B2PLYP/6-311G*

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	0.030
2	C	-0.192
3	H	0.231
4	H	0.241
5	O	-0.310

	x	y	z	Total
	3.777	-0.387	0.000	3.796
CHELPG
AIM
ESP

	x	y	z
x	6.128	-0.079	0.000
y	-0.079	2.313	0.000
z	0.000	0.000	1.412

<r²>	37.390
(<r²>)^1/2	6.115

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

using model chemistry: B2PLYP/6-311G*

States and conformations

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