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	hartrees
Energy at 0K	-189.379490
Energy at 298.15K	-189.382055
HF Energy	-188.631093
Nuclear repulsion energy	69.974244

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3280	3161
2	A'	3157	3042
3	A'	1497	1443
4	A'	1320	1272
5	A'	1241	1196
6	A'	942	908
7	A'	536	517
8	A"	874	842
9	A"	647	624

Atom	x (Å)	y (Å)
O1	0.000	0.469
C2	1.068	-0.218
H3	0.996	-1.296
H4	1.979	0.358
O5	-1.173	-0.188

	O1	C2	H3	H4	O5
O1		1.2701	2.0267	1.9818	1.3441
C2	1.2701		1.0802	1.0776	2.2412
H3	2.0267	1.0802		1.9238	2.4360
H4	1.9818	1.0776	1.9238		3.1985
O5	1.3441	2.2412	2.4360	3.1985

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	118.938		O1	C2	H4	114.921
C2	O1	O5	118.010		H3	C2	H4	126.141

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

using model chemistry: CCSD(T)=FULL/aug-cc-pVTZ

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(T)=FULL/aug-cc-pVTZ

States and conformations

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