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	hartrees
Energy at 0K	-188.645448
Energy at 298.15K	-188.647909
HF Energy	-188.645448
Nuclear repulsion energy	69.457280

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3363	3048	0.89
2	A'	3237	2934	11.80
3	A'	1909	1731	95.51
4	A'	1584	1436	27.98
5	A'	1353	1226	18.27
6	A'	582	527	27.96
7	A'	473	428	8.28
8	A"	1308	1185	7.03
9	A"	651	591	0.50

Atom	x (Å)	y (Å)
O1	0.000	0.507
C2	1.053	-0.057
H3	1.085	-1.135
H4	1.953	0.539
O5	-1.169	-0.389

	O1	C2	H3	H4	O5
O1		1.1942	1.9680	1.9531	1.4732
C2	1.1942		1.0788	1.0793	2.2471
H3	1.9680	1.0788		1.8857	2.3747
H4	1.9531	1.0793	1.8857		3.2574
O5	1.4732	2.2471	2.3747	3.2574

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	119.865		O1	C2	H4	118.337
C2	O1	O5	114.388		H3	C2	H4	121.798

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

using model chemistry: HF/Def2TZVPP

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	-0.052
2	C	0.295
3	H	0.110
4	H	0.104
5	O	-0.458

	x	y	z	Total
	5.604	-0.032	0.000	5.604
CHELPG
AIM
ESP

	x	y	z
x	4.678	0.298	0.000
y	0.298	2.591	0.000
z	0.000	0.000	1.769

<r²>	37.511
(<r²>)^1/2	6.125

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

using model chemistry: HF/Def2TZVPP

States and conformations

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