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	hartrees
Energy at 0K	-189.612470
Energy at 298.15K	-189.614975
HF Energy	-189.612470
Nuclear repulsion energy	69.043055

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3205	3197	1.70
2	A'	3048	3040	0.89
3	A'	1453	1450	16.19
4	A'	1322	1319	23.23
5	A'	1207	1204	14.80
6	A'	911	909	59.91
7	A'	522	520	0.54
8	A"	797	795	40.00
9	A"	638	636	10.53

Atom	x (Å)	y (Å)
O1	0.000	0.464
C2	1.089	-0.214
H3	1.035	-1.304
H4	1.999	0.385
O5	-1.196	-0.189

	O1	C2	H3	H4	O5
O1		1.2829	2.0485	2.0004	1.3628
C2	1.2829		1.0914	1.0887	2.2859
H3	2.0485	1.0914		1.9443	2.4947
H4	2.0004	1.0887	1.9443		3.2463
O5	1.3628	2.2859	2.4947	3.2463

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	119.034		O1	C2	H4	114.766
C2	O1	O5	119.509		H3	C2	H4	126.200

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

using model chemistry: BLYP/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	0.015
2	C	-0.165
3	H	0.211
4	H	0.223
5	O	-0.284

	x	y	z	Total
	3.645	-0.315	0.000	3.659
CHELPG
AIM
ESP

	x	y	z
x	5.841	-0.004	0.000
y	-0.004	2.456	0.000
z	0.000	0.000	1.453

<r²>	38.281
(<r²>)^1/2	6.187

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

using model chemistry: BLYP/6-311G*

States and conformations

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