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	hartrees
Energy at 0K	-186.778858
Energy at 298.15K	-186.780950
HF Energy	-186.696098
Nuclear repulsion energy	67.328340

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3615	3615	2.25
2	A'	3395	3395	43.26
3	A'	1536	1536	2.72
4	A'	1471	1471	6.64
5	A'	1229	1229	13.63
6	A'	1119	1119	0.06
7	A'	509	509	1.36
8	A"	637	637	4.19
9	A"	348	348	59.22

Atom	x (Å)	y (Å)
O1	0.000	0.491
C2	1.112	-0.305
H3	1.008	-1.398
H4	2.067	0.231
O5	-1.218	-0.116

	O1	C2	H3	H4	O5
O1		1.3675	2.1405	2.0831	1.3608
C2	1.3675		1.0975	1.0952	2.3382
H3	2.1405	1.0975		1.9430	2.5691
H4	2.0831	1.0952	1.9430		3.3035
O5	1.3608	2.3382	2.5691	3.3035

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	120.137		O1	C2	H4	115.079
C2	O1	O5	117.960		H3	C2	H4	124.784

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

using model chemistry: B2PLYP/STO-3G

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	-0.002
2	C	-0.065
3	H	0.088
4	H	0.090
5	O	-0.111

	x	y	z	Total
	1.545	-0.377	0.000	1.591
CHELPG
AIM
ESP

	x	y	z
x	3.755	-0.136	0.000
y	-0.136	1.142	0.000
z	0.000	0.000	0.463

<r²>	38.644
(<r²>)^1/2	6.216

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

using model chemistry: B2PLYP/STO-3G

States and conformations

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