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	hartrees
Energy at 0K	-188.611048
Energy at 298.15K	-188.613438
HF Energy	-188.611048
Nuclear repulsion energy	68.869628

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3363	3056	2.43
2	A'	3236	2940	13.70
3	A'	1920	1744	117.38
4	A'	1586	1441	25.74
5	A'	1346	1223	20.17
6	A'	507	461	49.09
7	A'	458	416	7.88
8	A"	1309	1189	4.67
9	A"	632	574	0.42

Atom	x (Å)	y (Å)
O1	0.000	0.506
C2	1.058	-0.050
H3	1.098	-1.130
H4	1.957	0.551
O5	-1.176	-0.396

	O1	C2	H3	H4	O5
O1		1.1953	1.9701	1.9578	1.4820
C2	1.1953		1.0810	1.0814	2.2606
H3	1.9701	1.0810		1.8883	2.3886
H4	1.9578	1.0814	1.8883		3.2730
O5	1.4820	2.2606	2.3886	3.2730

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	119.794		O1	C2	H4	118.525
C2	O1	O5	114.782		H3	C2	H4	121.680

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

using model chemistry: HF/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	-0.143
2	C	0.263
3	H	0.139
4	H	0.130
5	O	-0.390

	x	y	z	Total
	5.517	-0.055	0.000	5.517
CHELPG
AIM
ESP

	x	y	z
x	4.307	0.331	0.000
y	0.331	2.270	0.000
z	0.000	0.000	1.256

<r²>	37.895
(<r²>)^1/2	6.156

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

using model chemistry: HF/6-311G**

States and conformations

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