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	hartrees
Energy at 0K	-188.628440
Energy at 298.15K	-188.630997
HF Energy	-188.628440
Nuclear repulsion energy	70.505359

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3249	3188	0.87
2	A'	3089	3031	3.06
3	A'	1499	1471	41.23
4	A'	1363	1338	9.90
5	A'	1222	1199	28.62
6	A'	1066	1046	39.70
7	A'	539	529	1.05
8	A"	801	786	41.75
9	A"	662	650	17.14

Atom	x (Å)	y (Å)
O1	0.000	0.452
C2	1.064	-0.247
H3	0.967	-1.339
H4	1.992	0.328
O5	-1.168	-0.140

	O1	C2	H3	H4	O5
O1		1.2733	2.0358	1.9958	1.3096
C2	1.2733		1.0963	1.0920	2.2344
H3	2.0358	1.0963		1.9574	2.4486
H4	1.9958	1.0920	1.9574		3.1944
O5	1.3096	2.2344	2.4486	3.1944

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	118.249		O1	C2	H4	114.868
C2	O1	O5	119.777		H3	C2	H4	126.883

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

using model chemistry: LSDA/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	0.013
2	C	-0.132
3	H	0.210
4	H	0.211
5	O	-0.303

	x	y	z	Total
	3.416	-0.402	0.000	3.440
CHELPG
AIM
ESP

	x	y	z
x	5.365	-0.109	0.000
y	-0.109	2.327	0.000
z	0.000	0.000	1.325

<r²>	36.970
(<r²>)^1/2	6.080

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

using model chemistry: LSDA/6-31G*

States and conformations

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