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	hartrees
Energy at 0K	-189.152596
Energy at 298.15K	-189.155161
HF Energy	-188.587197
Nuclear repulsion energy	69.501930

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3317	3317	0.59
2	A'	3159	3159	3.68
3	A'	1557	1557	34.94
4	A'	1402	1402	17.96
5	A'	1238	1238	15.09
6	A'	828	828	127.75
7	A'	524	524	0.17
8	A"	981	981	25.29
9	A"	661	661	2.89

Atom	x (Å)	y (Å)
O1	0.000	0.479
C2	1.069	-0.187
H3	1.011	-1.280
H4	1.989	0.401
O5	-1.177	-0.228

	O1	C2	H3	H4	O5
O1		1.2594	2.0287	1.9902	1.3728
C2	1.2594		1.0941	1.0918	2.2458
H3	2.0287	1.0941		1.9442	2.4274
H4	1.9902	1.0918	1.9442		3.2271
O5	1.3728	2.2458	2.4274	3.2271

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	118.920		O1	C2	H4	115.470
C2	O1	O5	117.056		H3	C2	H4	125.610

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

using model chemistry: CCSD=FULL/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

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