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	hartrees
Energy at 0K	-189.399027
Energy at 298.15K	-189.401633
HF Energy	-189.399027
Nuclear repulsion energy	70.623070

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3326	3199	0.85
2	A'	3155	3035	4.29
3	A'	1544	1485	41.28
4	A'	1392	1339	10.91
5	A'	1235	1188	27.36
6	A'	1003	965	93.59
7	A'	542	521	0.51
8	A"	890	856	37.54
9	A"	687	661	4.36

Atom	x (Å)	y (Å)
O1	0.000	0.451
C2	1.061	-0.229
H3	0.987	-1.320
H4	1.983	0.352
O5	-1.167	-0.158

	O1	C2	H3	H4	O5
O1		1.2606	2.0280	1.9857	1.3168
C2	1.2606		1.0937	1.0900	2.2297
H3	2.0280	1.0937		1.9468	2.4478
H4	1.9857	1.0900	1.9468		3.1916
O5	1.3168	2.2297	2.4478	3.1916

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	118.774		O1	C2	H4	115.097
C2	O1	O5	119.769		H3	C2	H4	126.128

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

using model chemistry: HSEh1PBE/cc-pVDZ

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	0.060
2	C	0.099
3	H	0.076
4	H	0.085
5	O	-0.319

	x	y	z	Total
	3.766	-0.351	0.000	3.782
CHELPG
AIM
ESP

	x	y	z
x	5.559	-0.077	0.000
y	-0.077	2.254	0.000
z	0.000	0.000	1.312

<r²>	36.871
(<r²>)^1/2	6.072

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

using model chemistry: HSEh1PBE/cc-pVDZ

States and conformations

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