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	hartrees
Energy at 0K	-189.154559
Energy at 298.15K	-189.157106
HF Energy	-188.583680
Nuclear repulsion energy	69.098053

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3311	3207	0.21
2	A'	3151	3052	1.23
3	A'	1487	1441	24.36
4	A'	1332	1291	35.61
5	A'	1224	1185	16.81
6	A'	964	934	17.53
7	A'	528	511	3.99
8	A"	902	874	27.89
9	A"	606	587	3.01

Atom	x (Å)	y (Å)
O1	0.000	0.489
C2	1.073	-0.209
H3	0.991	-1.301
H4	2.001	0.367
O5	-1.179	-0.215

	O1	C2	H3	H4	O5
O1		1.2801	2.0462	2.0050	1.3731
C2	1.2801		1.0951	1.0929	2.2515
H3	2.0462	1.0951		1.9508	2.4260
H4	2.0050	1.0929	1.9508		3.2329
O5	1.3731	2.2515	2.4260	3.2329

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	118.758		O1	C2	H4	115.096
C2	O1	O5	116.073		H3	C2	H4	126.146

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

using model chemistry: QCISD/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: QCISD/aug-cc-pVDZ

States and conformations

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