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	hartrees
Energy at 0K	-189.437259
Energy at 298.15K	-189.439875
HF Energy	-189.437259
Nuclear repulsion energy	70.680529

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3305	3174	0.50
2	A'	3144	3019	3.30
3	A'	1551	1490	37.87
4	A'	1410	1354	13.35
5	A'	1251	1202	23.40
6	A'	987	948	101.89
7	A'	545	524	0.32
8	A"	914	878	41.06
9	A"	690	663	4.42

Atom	x (Å)	y (Å)
O1	0.000	0.450
C2	1.062	-0.219
H3	0.998	-1.303
H4	1.975	0.363
O5	-1.168	-0.169

	O1	C2	H3	H4	O5
O1		1.2551	2.0171	1.9765	1.3219
C2	1.2551		1.0856	1.0823	2.2303
H3	2.0171	1.0856		1.9305	2.4447
H4	1.9765	1.0823	1.9305		3.1871
O5	1.3219	2.2303	2.4447	3.1871

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	118.846		O1	C2	H4	115.272
C2	O1	O5	119.854		H3	C2	H4	125.882

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	0.027
2	C	0.008
3	H	0.145
4	H	0.151
5	O	-0.331

	x	y	z	Total
	4.006	-0.368	0.000	4.023
CHELPG
AIM
ESP

	x	y	z
x	5.707	-0.071	0.000
y	-0.071	2.322	0.000
z	0.000	0.000	1.450

<r²>	36.933
(<r²>)^1/2	6.077

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)