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	hartrees
Energy at 0K	-189.446739
Energy at 298.15K	-189.449272
HF Energy	-189.446739
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3346	3346	0.69
2	A'	3191	3191	4.13
3	A'	1556	1556	14.24
4	A'	1433	1433	8.47
5	A'	1247	1247	7.65
6	A'	800	800	65.27
7	A'	500	500	0.03
8	A"	1010	1010	54.37
9	A"	660	660	1.60

Atom	x (Å)	y (Å)
O1	0.000	0.475
C2	1.097	-0.159
H3	1.082	-1.243
H4	1.997	0.439
O5	-1.207	-0.255

	O1	C2	H3	H4	O5
O1		1.2670	2.0308	1.9975	1.4110
C2	1.2670		1.0842	1.0809	2.3062
H3	2.0308	1.0842		1.9149	2.4939
H4	1.9975	1.0809	1.9149		3.2788
O5	1.4110	2.3062	2.4939	3.2788

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	119.272		O1	C2	H4	116.362
C2	O1	O5	118.803		H3	C2	H4	124.366

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

using model chemistry: wB97X-D/6-31G

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	-0.167
2	C	0.025
3	H	0.223
4	H	0.222
5	O	-0.303

	x	y	z	Total
	4.587	-0.514	0.000	4.616
CHELPG
AIM
ESP

	x	y	z
x	5.699	0.181	0.000
y	0.181	2.053	0.000
z	0.000	0.000	0.996

<r²>	38.604
(<r²>)^1/2	6.213

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

using model chemistry: wB97X-D/6-31G

States and conformations

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