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	hartrees
Energy at 0K	-189.536174
Energy at 298.15K	-189.538782
HF Energy	-189.536174
Nuclear repulsion energy	70.371911

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3331	3171	0.71
2	A'	3173	3020	4.71
3	A'	1576	1500	39.13
4	A'	1421	1353	14.39
5	A'	1256	1195	25.03
6	A'	979	932	114.65
7	A'	536	510	0.03
8	A"	943	898	43.03
9	A"	685	652	5.04

Atom	x (Å)	y (Å)
O1	0.000	0.455
C2	1.066	-0.210
H3	1.012	-1.294
H4	1.975	0.377
O5	-1.173	-0.183

	O1	C2	H3	H4	O5
O1		1.2557	2.0205	1.9769	1.3347
C2	1.2557		1.0856	1.0827	2.2383
H3	2.0205	1.0856		1.9288	2.4512
H4	1.9769	1.0827	1.9288		3.1974
O5	1.3347	2.2383	2.4512	3.1974

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	119.133		O1	C2	H4	115.233
C2	O1	O5	119.526		H3	C2	H4	125.634

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

using model chemistry: mPW1PW91/6-31+G**

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	0.116
2	C	-0.103
3	H	0.206
4	H	0.193
5	O	-0.412

	x	y	z	Total
	4.430	-0.401	0.000	4.448
CHELPG
AIM
ESP

	x	y	z
x	6.366	-0.057	0.000
y	-0.057	2.713	0.000
z	0.000	0.000	1.923

<r²>	37.326
(<r²>)^1/2	6.110

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

using model chemistry: mPW1PW91/6-31+G**

States and conformations

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