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	hartrees
Energy at 0K	-189.188507
Energy at 298.15K	-189.191111
HF Energy	-188.570066
Nuclear repulsion energy	70.395817

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3344	3161	0.56
2	A'	3189	3015	5.76
3	A'	1565	1480	36.18
4	A'	1415	1338	19.07
5	A'	1265	1196	17.07
6	A'	926	875	117.74
7	A'	541	511	0.12
8	A"	956	904	29.71
9	A"	684	647	2.52

Atom	x (Å)	y (Å)
O1	0.000	0.466
C2	1.059	-0.206
H3	0.990	-1.287
H4	1.977	0.366
O5	-1.165	-0.196

	O1	C2	H3	H4	O5
O1		1.2546	2.0132	1.9791	1.3404
C2	1.2546		1.0832	1.0810	2.2245
H3	2.0132	1.0832		1.9252	2.4151
H4	1.9791	1.0810	1.9252		3.1916
O5	1.3404	2.2245	2.4151	3.1916

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	118.716		O1	C2	H4	115.650
C2	O1	O5	117.973		H3	C2	H4	125.634

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

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

States and conformations

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