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	hartrees
Energy at 0K	-189.209114
Energy at 298.15K	-189.211723
HF Energy	-188.570389
Nuclear repulsion energy	70.519820

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3351	3155	0.56
2	A'	3198	3011	5.80
3	A'	1568	1477	37.30
4	A'	1420	1337	18.59
5	A'	1269	1195	17.13
6	A'	931	877	117.74
7	A'	543	511	0.12
8	A"	957	901	29.65
9	A"	687	647	2.50

Atom	x (Å)	y (Å)
O1	0.000	0.465
C2	1.057	-0.205
H3	0.991	-1.285
H4	1.974	0.366
O5	-1.164	-0.196

	O1	C2	H3	H4	O5
O1		1.2517	2.0105	1.9762	1.3382
C2	1.2517		1.0817	1.0795	2.2209
H3	2.0105	1.0817		1.9210	2.4135
H4	1.9762	1.0795	1.9210		3.1872
O5	1.3382	2.2209	2.4135	3.1872

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	118.815		O1	C2	H4	115.729
C2	O1	O5	118.044		H3	C2	H4	125.455

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

using model chemistry: CCSD=FULL/6-31G(2df,p)

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

using model chemistry: CCSD=FULL/6-31G(2df,p)

States and conformations

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