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	hartrees
Energy at 0K	-188.707099
Energy at 298.15K	-188.709675
HF Energy	-188.707099
Nuclear repulsion energy	70.548110

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3217	3180	2.89
2	A'	3053	3017	5.61
3	A'	1488	1471	47.40
4	A'	1353	1337	12.80
5	A'	1209	1195	23.47
6	A'	1021	1009	66.84
7	A'	538	532	0.53
8	A"	832	822	49.82
9	A"	668	661	12.27

Atom	x (Å)	y (Å)
O1	0.000	0.449
C2	1.065	-0.234
H3	0.990	-1.326
H4	1.981	0.355
O5	-1.170	-0.152

	O1	C2	H3	H4	O5
O1		1.2647	2.0323	1.9836	1.3150
C2	1.2647		1.0948	1.0900	2.2360
H3	2.0323	1.0948		1.9523	2.4584
H4	1.9836	1.0900	1.9523		3.1919
O5	1.3150	2.2360	2.4584	3.1919

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	118.757		O1	C2	H4	114.587
C2	O1	O5	120.153		H3	C2	H4	126.657

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

using model chemistry: LSDA/TZVP

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	0.077
2	C	-0.108
3	H	0.172
4	H	0.174
5	O	-0.315

	x	y	z	Total
	3.807	-0.420	0.000	3.830
CHELPG
AIM
ESP

	x	y	z
x	6.089	-0.115	0.000
y	-0.115	2.661	0.000
z	0.000	0.000	1.811

<r²>	37.339
(<r²>)^1/2	6.111

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

using model chemistry: LSDA/TZVP

States and conformations

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