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	hartrees
Energy at 0K	-189.558436
Energy at 298.15K	-189.561057
HF Energy	-189.558436
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3309	3309	0.45
2	A'	3152	3152	1.68
3	A'	1585	1585	35.64
4	A'	1428	1428	11.54
5	A'	1270	1270	22.44
6	A'	977	977	114.95
7	A'	552	552	0.23
8	A"	927	927	42.44
9	A"	696	696	2.70

Atom	x (Å)	y (Å)
O1	0.000	0.454
C2	1.060	-0.208
H3	0.997	-1.292
H4	1.972	0.374
O5	-1.166	-0.183

	O1	C2	H3	H4	O5
O1		1.2493	2.0106	1.9739	1.3285
C2	1.2493		1.0857	1.0822	2.2257
H3	2.0106	1.0857		1.9298	2.4311
H4	1.9739	1.0822	1.9298		3.1872
O5	1.3285	2.2257	2.4311	3.1872

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	118.711		O1	C2	H4	115.504
C2	O1	O5	119.366		H3	C2	H4	125.785

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

using model chemistry: wB97X-D/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	0.032
2	C	-0.177
3	H	0.245
4	H	0.249
5	O	-0.349

	x	y	z	Total
	4.243	-0.352	0.000	4.258
CHELPG
AIM
ESP

	x	y	z
x	5.685	-0.035	0.000
y	-0.035	2.274	0.000
z	0.000	0.000	1.390

<r²>	36.842
(<r²>)^1/2	6.070

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

using model chemistry: wB97X-D/6-311G*

States and conformations

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