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	hartrees
Energy at 0K	-189.296843
Energy at 298.15K	-189.299431
HF Energy	-188.635256
Nuclear repulsion energy	70.080814

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3304	3158	0.99
2	A'	3154	3015	4.19
3	A'	1582	1512	37.26
4	A'	1420	1357	15.35
5	A'	1253	1197	16.24
6	A'	863	825	130.59
7	A'	525	502	0.10
8	A"	1002	957	24.83
9	A"	674	644	2.76

Atom	x (Å)	y (Å)
O1	0.000	0.472
C2	1.062	-0.184
H3	1.010	-1.265
H4	1.971	0.400
O5	-1.169	-0.226

	O1	C2	H3	H4	O5
O1		1.2483	2.0092	1.9724	1.3615
C2	1.2483		1.0826	1.0803	2.2319
H3	2.0092	1.0826		1.9229	2.4144
H4	1.9724	1.0803	1.9229		3.2021
O5	1.3615	2.2319	2.4144	3.2021

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	118.910		O1	C2	H4	115.596
C2	O1	O5	117.504		H3	C2	H4	125.494

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

using model chemistry: CCSD/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/aug-cc-pVTZ

States and conformations

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