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	hartrees
Energy at 0K	-189.543892
Energy at 298.15K	-189.546532
HF Energy	-189.543892
Nuclear repulsion energy	70.703601

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3301	3301	1.65
2	A'	3142	3142	5.28
3	A'	1615	1615	33.85
4	A'	1435	1435	8.29
5	A'	1264	1264	21.88
6	A'	941	941	131.54
7	A'	551	551	0.09
8	A"	992	992	36.79
9	A"	712	712	1.53

Atom	x (Å)	y (Å)
O1	0.000	0.455
C2	1.059	-0.197
H3	0.998	-1.281
H4	1.971	0.385
O5	-1.165	-0.196

	O1	C2	H3	H4	O5
O1		1.2432	2.0024	1.9723	1.3345
C2	1.2432		1.0855	1.0822	2.2236
H3	2.0024	1.0855		1.9288	2.4203
H4	1.9723	1.0822	1.9288		3.1894
O5	1.3345	2.2236	2.4203	3.1894

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	118.454		O1	C2	H4	115.857
C2	O1	O5	119.184		H3	C2	H4	125.689

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

using model chemistry: M06-2X/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	0.008
2	C	0.035
3	H	0.159
4	H	0.159
5	O	-0.361

	x	y	z	Total
	4.442	-0.327	0.000	4.454
CHELPG
AIM
ESP

	x	y	z
x	5.660	-0.003	0.000
y	-0.003	2.263	0.000
z	0.000	0.000	1.410

<r²>	36.856
(<r²>)^1/2	6.071

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

using model chemistry: M06-2X/6-311G**

States and conformations

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