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	hartrees
Energy at 0K	-189.433601
Energy at 298.15K	-189.436210
HF Energy	-189.433601
Nuclear repulsion energy	70.681051

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3315	3181	0.47
2	A'	3154	3027	1.85
3	A'	1560	1497	35.18
4	A'	1416	1359	13.89
5	A'	1265	1213	22.16
6	A'	985	945	102.15
7	A'	548	525	0.28
8	A"	897	860	42.56
9	A"	691	663	5.29

Atom	x (Å)	y (Å)
O1	0.000	0.450
C2	1.062	-0.217
H3	0.998	-1.301
H4	1.974	0.366
O5	-1.168	-0.171

	O1	C2	H3	H4	O5
O1		1.2541	2.0154	1.9756	1.3229
C2	1.2541		1.0856	1.0823	2.2302
H3	2.0154	1.0856		1.9313	2.4427
H4	1.9756	1.0823	1.9313		3.1872
O5	1.3229	2.2302	2.4427	3.1872

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	118.773		O1	C2	H4	115.268
C2	O1	O5	119.835		H3	C2	H4	125.959

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

using model chemistry: HSEh1PBE/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	0.028
2	C	-0.186
3	H	0.242
4	H	0.248
5	O	-0.332

	x	y	z	Total
	4.039	-0.364	0.000	4.055
CHELPG
AIM
ESP

	x	y	z
x	5.668	-0.058	0.000
y	-0.058	2.296	0.000
z	0.000	0.000	1.405

<r²>	36.937
(<r²>)^1/2	6.078

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

using model chemistry: HSEh1PBE/6-311G*

States and conformations

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