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	hartrees
Energy at 0K	-189.131854
Energy at 298.15K	-189.134424
HF Energy	-188.587968
Nuclear repulsion energy	69.982860

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3314	3197	0.53
2	A'	3156	3044	3.83
3	A'	1600	1544	38.58
4	A'	1429	1378	11.37
5	A'	1248	1203	21.03
6	A'	775	748	237.27
7	A'	517	499	10.32
8	A"	1022	986	25.62
9	A"	700	675	2.18

Atom	x (Å)	y (Å)
O1	0.000	0.472
C2	1.062	-0.187
H3	1.003	-1.281
H4	1.983	0.400
O5	-1.170	-0.222

	O1	C2	H3	H4	O5
O1		1.2499	2.0194	1.9846	1.3600
C2	1.2499		1.0951	1.0927	2.2315
H3	2.0194	1.0951		1.9458	2.4165
H4	1.9846	1.0927	1.9458		3.2136
O5	1.3600	2.2315	2.4165	3.2136

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	118.752		O1	C2	H4	115.653
C2	O1	O5	117.465		H3	C2	H4	125.595

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

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

States and conformations

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