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	hartrees
Energy at 0K	-38.592232
Energy at 298.15K	-38.594740
HF Energy	-38.592232
Nuclear repulsion energy	38.036046

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3262	3178	1.93
2	A'	3090	3011	2.62
3	A'	1491	1453	11.59
4	A'	1373	1338	15.16
5	A'	1229	1197	8.96
6	A'	836	815	60.65
7	A'	477	465	0.03
8	A"	962	938	59.03
9	A"	627	611	3.77

Atom	x (Å)	y (Å)
O1	0.000	0.477
C2	1.120	-0.164
H3	1.114	-1.254
H4	2.016	0.451
O5	-1.231	-0.253

	O1	C2	H3	H4	O5
O1		1.2903	2.0578	2.0157	1.4312
C2	1.2903		1.0894	1.0868	2.3527
H3	2.0578	1.0894		1.9287	2.5494
H4	2.0157	1.0868	1.9287		3.3222
O5	1.4312	2.3527	2.5494	3.3222

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	119.461		O1	C2	H4	115.723
C2	O1	O5	119.558		H3	C2	H4	124.816

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

using model chemistry: B3LYP/CEP-121G

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	0.039
2	C	-0.118
3	H	0.187
4	H	0.190
5	O	-0.298

	x	y	z	Total
	4.566	-0.502	0.000	4.594
CHELPG
AIM
ESP

	x	y	z
x	6.351	0.170	0.000
y	0.170	2.343	0.000
z	0.000	0.000	1.370

<r²>	33.591
(<r²>)^1/2	5.796

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

using model chemistry: B3LYP/CEP-121G

States and conformations

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