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	hartrees
Energy at 0K	-189.595387
Energy at 298.15K	-189.597910
HF Energy	-189.595387
Nuclear repulsion energy	68.878174

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3214	3207	0.26
2	A'	3049	3043	2.03
3	A'	1443	1440	22.87
4	A'	1319	1317	25.33
5	A'	1188	1185	16.38
6	A'	902	900	75.64
7	A'	516	515	0.44
8	A"	853	851	34.81
9	A"	635	634	7.26

Atom	x (Å)	y (Å)
O1	0.000	0.469
C2	1.089	-0.212
H3	1.036	-1.309
H4	2.004	0.389
O5	-1.197	-0.194

	O1	C2	H3	H4	O5
O1		1.2843	2.0575	2.0051	1.3680
C2	1.2843		1.0976	1.0950	2.2854
H3	2.0575	1.0976		1.9543	2.4955
H4	2.0051	1.0950	1.9543		3.2530
O5	1.3680	2.2854	2.4955	3.2530

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	119.289		O1	C2	H4	114.629
C2	O1	O5	118.976		H3	C2	H4	126.082

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

using model chemistry: BLYP/aug-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	0.061
2	C	1.024
3	H	-0.288
4	H	-0.357
5	O	-0.440

	x	y	z	Total
	3.940	-0.364	0.000	3.957
CHELPG
AIM
ESP

	x	y	z
x	7.108	-0.027	0.000
y	-0.027	3.404	0.000
z	0.000	0.000	2.596

<r²>	38.691
(<r²>)^1/2	6.220

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

using model chemistry: BLYP/aug-cc-pVDZ

States and conformations

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