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	hartrees
Energy at 0K	-188.528364
Energy at 298.15K	-188.530866
HF Energy	-188.528364
Nuclear repulsion energy	67.527127

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3300	3174	1.75
2	A'	3153	3033	2.08
3	A'	1499	1442	7.11
4	A'	1357	1305	19.23
5	A'	1202	1156	8.57
6	A'	922	887	36.00
7	A'	474	456	0.30
8	A"	912	877	59.92
9	A"	632	608	3.51

Atom	x (Å)	y (Å)
O1	0.000	0.494
C2	1.107	-0.167
H3	1.079	-1.249
H4	2.018	0.414
O5	-1.217	-0.264

	O1	C2	H3	H4	O5
O1		1.2890	2.0501	2.0200	1.4340
C2	1.2890		1.0824	1.0814	2.3257
H3	2.0501	1.0824		1.9103	2.4985
H4	2.0200	1.0814	1.9103		3.3059
O5	1.4340	2.3257	2.4985	3.3059

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	119.402		O1	C2	H4	116.625
C2	O1	O5	117.221		H3	C2	H4	123.973

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

using model chemistry: B3LYP/3-21G*

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	-0.202
2	C	-0.018
3	H	0.234
4	H	0.234
5	O	-0.248

	x	y	z	Total
	3.682	-0.453	0.000	3.709
CHELPG
AIM
ESP

	x	y	z
x	5.345	0.206	0.000
y	0.206	1.917	0.000
z	0.000	0.000	0.856

<r²>	39.008
(<r²>)^1/2	6.246

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

using model chemistry: B3LYP/3-21G*

States and conformations

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