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	hartrees
Energy at 0K	-187.026945
Energy at 298.15K	-187.029206
HF Energy	-187.026945
Nuclear repulsion energy	67.445917

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3566	3183	2.19
2	A'	3351	2991	47.68
3	A'	1543	1377	6.03
4	A'	1427	1273	22.64
5	A'	1267	1131	5.02
6	A'	1115	995	7.58
7	A'	501	447	1.17
8	A"	659	588	17.13
9	A"	529	472	47.60

Atom	x (Å)	y (Å)
O1	0.000	0.484
C2	1.112	-0.281
H3	1.035	-1.378
H4	2.062	0.267
O5	-1.221	-0.134

	O1	C2	H3	H4	O5
O1		1.3496	2.1306	2.0733	1.3683
C2	1.3496		1.0994	1.0975	2.3371
H3	2.1306	1.0994		1.9396	2.5766
H4	2.0733	1.0975	1.9396		3.3073
O5	1.3683	2.3371	2.5766	3.3073

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	120.574		O1	C2	H4	115.440
C2	O1	O5	118.608		H3	C2	H4	123.985

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

using model chemistry: B3LYP/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	-0.004
2	C	-0.063
3	H	0.098
4	H	0.099
5	O	-0.131

	x	y	z	Total
	1.801	-0.368	0.000	1.838
CHELPG
AIM
ESP

	x	y	z
x	3.801	-0.139	0.000
y	-0.139	1.143	0.000
z	0.000	0.000	0.466

<r²>	38.550
(<r²>)^1/2	6.209

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

using model chemistry: B3LYP/STO-3G

States and conformations

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