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	hartrees
Energy at 0K	-38.585095
Energy at 298.15K	-38.587573
HF Energy	-38.585095
Nuclear repulsion energy	37.913032

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3295	3191	3.76
2	A'	3136	3037	1.81
3	A'	1486	1439	13.18
4	A'	1366	1323	15.10
5	A'	1223	1185	6.80
6	A'	841	815	59.00
7	A'	469	454	0.07
8	A"	952	922	82.32
9	A"	619	599	5.14

Atom	x (Å)	y (Å)
O1	0.000	0.477
C2	1.124	-0.168
H3	1.118	-1.264
H4	2.025	0.450
O5	-1.236	-0.249

	O1	C2	H3	H4	O5
O1		1.2957	2.0687	2.0251	1.4329
C2	1.2957		1.0951	1.0930	2.3606
H3	2.0687	1.0951		1.9385	2.5634
H4	2.0251	1.0930	1.9385		3.3345
O5	1.4329	2.3606	2.5634	3.3345

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	119.592		O1	C2	H4	115.682
C2	O1	O5	119.710		H3	C2	H4	124.727

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

using model chemistry: B3LYP/CEP-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	0.065
2	C	-0.253
3	H	0.245
4	H	0.244
5	O	-0.301

	x	y	z	Total
	4.699	-0.644	0.000	4.743
CHELPG
AIM
ESP

	x	y	z
x	6.142	0.179	0.000
y	0.179	1.982	0.000
z	0.000	0.000	1.225

<r²>	33.661
(<r²>)^1/2	5.802

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

using model chemistry: B3LYP/CEP-31G

States and conformations

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