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	hartrees
Energy at 0K	-189.531541
Energy at 298.15K	-189.534073
HF Energy	-189.531541
Nuclear repulsion energy	69.704416

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3237	3237	2.33
2	A'	3074	3074	1.08
3	A'	1468	1468	17.84
4	A'	1338	1338	24.58
5	A'	1222	1222	16.42
6	A'	947	947	66.97
7	A'	534	534	0.52
8	A"	799	799	40.13
9	A"	650	650	11.76

Atom	x (Å)	y (Å)
O1	0.000	0.457
C2	1.079	-0.227
H3	1.015	-1.314
H4	1.990	0.365
O5	-1.185	-0.168

	O1	C2	H3	H4	O5
O1		1.2777	2.0418	1.9918	1.3399
C2	1.2777		1.0890	1.0859	2.2646
H3	2.0418	1.0890		1.9409	2.4807
H4	1.9918	1.0859	1.9409		3.2190
O5	1.3399	2.2646	2.4807	3.2190

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	119.030		O1	C2	H4	114.616
C2	O1	O5	119.782		H3	C2	H4	126.354

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

using model chemistry: B97D3/6-311G*

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	0.017
2	C	-0.169
3	H	0.218
4	H	0.228
5	O	-0.295

	x	y	z	Total
	3.669	-0.367	0.000	3.688
CHELPG
AIM
ESP

	x	y	z
x	5.767	-0.060	0.000
y	-0.060	2.411	0.000
z	0.000	0.000	1.451

<r²>	37.679
(<r²>)^1/2	6.138

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

using model chemistry: B97D3/6-311G*

States and conformations

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