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	hartrees
Energy at 0K	-189.320779
Energy at 298.15K	-189.323389
HF Energy	-188.629808
Nuclear repulsion energy	70.485023

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3321	3149	0.55
2	A'	3190	3025	4.34
3	A'	1588	1506	39.07
4	A'	1432	1357	21.62
5	A'	1269	1203	16.87
6	A'	901	854	134.43
7	A'	533	505	0.14
8	A"	1000	948	30.31
9	A"	686	651	2.23

Atom	x (Å)	y (Å)
O1	0.000	0.465
C2	1.059	-0.195
H3	1.000	-1.271
H4	1.967	0.379
O5	-1.165	-0.207

	O1	C2	H3	H4	O5
O1		1.2478	2.0033	1.9692	1.3449
C2	1.2478		1.0769	1.0747	2.2239
H3	2.0033	1.0769		1.9120	2.4126
H4	1.9692	1.0747	1.9120		3.1867
O5	1.3449	2.2239	2.4126	3.1867

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	118.843		O1	C2	H4	115.759
C2	O1	O5	118.078		H3	C2	H4	125.398

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

using model chemistry: CCSD=FULL/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=FULL/cc-pVTZ

States and conformations

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