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	hartrees
Energy at 0K	-188.652684
Energy at 298.15K	-188.655167
HF Energy	-188.652684
Nuclear repulsion energy	69.643012

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3363	3055	0.48
2	A'	3236	2940	11.37
3	A'	1907	1732	89.67
4	A'	1584	1439	30.20
5	A'	1355	1231	17.92
6	A'	598	544	22.38
7	A'	479	435	8.10
8	A"	1309	1190	6.96
9	A"	660	599	0.53

Atom	x (Å)	y (Å)
O1	0.000	0.495
C2	1.050	-0.075
H3	1.076	-1.152
H4	1.951	0.519
O5	-1.166	-0.359

	O1	C2	H3	H4	O5
O1		1.1946	1.9672	1.9508	1.4453
C2	1.1946		1.0782	1.0784	2.2346
H3	1.9672	1.0782		1.8864	2.3779
H4	1.9508	1.0784	1.8864		3.2381
O5	1.4453	2.2346	2.3779	3.2381

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	119.804		O1	C2	H4	118.161
C2	O1	O5	115.334		H3	C2	H4	122.035

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

using model chemistry: HF/aug-cc-pVQZ

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	-0.269
2	C	-0.403
3	H	0.563
4	H	0.628
5	O	-0.519

	x	y	z	Total
	5.619	-0.038	0.000	5.619
CHELPG
AIM
ESP

	x	y	z
x	5.011	0.257	0.000
y	0.257	2.962	0.000
z	0.000	0.000	2.310

<r²>	37.432
(<r²>)^1/2	6.118

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

using model chemistry: HF/aug-cc-pVQZ

States and conformations

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