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	hartrees
Energy at 0K	-189.425756
Energy at 298.15K	-189.428363
HF Energy	-188.645911
Nuclear repulsion energy	70.568787

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3327	3327	0.90
2	A'	3176	3176	4.16
3	A'	1599	1599	39.32
4	A'	1433	1433	15.90
5	A'	1267	1267	16.85
6	A'	888	888	132.82
7	A'	534	534	0.13
8	A"	1007	1007	27.19
9	A"	687	687	2.50

Atom	x (Å)	y (Å)
O1	0.000	0.465
C2	1.056	-0.188
H3	1.001	-1.265
H4	1.963	0.391
O5	-1.163	-0.215

	O1	C2	H3	H4	O5
O1		1.2420	1.9993	1.9647	1.3472
C2	1.2420		1.0785	1.0760	2.2192
H3	1.9993	1.0785		1.9150	2.4055
H4	1.9647	1.0760	1.9150		3.1842
O5	1.3472	2.2192	2.4055	3.1842

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	118.824		O1	C2	H4	115.718
C2	O1	O5	117.928		H3	C2	H4	125.458

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

using model chemistry: CCSD=FULL/cc-pVQZ

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-pVQZ

States and conformations

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