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	hartrees
Energy at 0K	-188.454247
Energy at 298.15K	-188.456762
HF Energy	-188.454247
Nuclear repulsion energy	67.735710

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3311	3177	1.24
2	A'	3160	3032	2.51
3	A'	1493	1432	9.12
4	A'	1365	1309	19.92
5	A'	1204	1155	8.38
6	A'	946	908	36.29
7	A'	479	460	0.34
8	A"	908	871	67.43
9	A"	638	612	3.93

Atom	x (Å)	y (Å)
O1	0.000	0.491
C2	1.104	-0.175
H3	1.069	-1.257
H4	2.016	0.407
O5	-1.213	-0.254

	O1	C2	H3	H4	O5
O1		1.2889	2.0495	2.0179	1.4239
C2	1.2889		1.0830	1.0820	2.3182
H3	2.0495	1.0830		1.9143	2.4933
H4	2.0179	1.0820	1.9143		3.2963
O5	1.4239	2.3182	2.4933	3.2963

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	119.300		O1	C2	H4	116.394
C2	O1	O5	117.328		H3	C2	H4	124.306

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

using model chemistry: B3PW91/3-21G*

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	-0.205
2	C	-0.056
3	H	0.255
4	H	0.255
5	O	-0.249

	x	y	z	Total
	3.719	-0.494	0.000	3.752
CHELPG
AIM
ESP

	x	y	z
x	5.333	0.180	0.000
y	0.180	1.910	0.000
z	0.000	0.000	0.863

<r²>	38.823
(<r²>)^1/2	6.231

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

using model chemistry: B3PW91/3-21G*

States and conformations

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