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	hartrees
Energy at 0K	-187.880595
Energy at 298.15K	-187.883000
HF Energy	-187.505570
Nuclear repulsion energy	66.409381

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3286	3158	1.97
2	A'	3139	3017	0.81
3	A'	1477	1420	5.33
4	A'	1255	1206	0.75
5	A'	1134	1090	50.24
6	A'	1002	963	11.83
7	A'	473	454	6.61
8	A"	779	749	51.17
9	A"	537	516	3.34

Atom	x (Å)	y (Å)
O1	0.000	0.529
C2	1.115	-0.195
H3	1.037	-1.278
H4	2.046	0.360
O5	-1.222	-0.267

	O1	C2	H3	H4	O5
O1		1.3294	2.0828	2.0532	1.4579
C2	1.3294		1.0853	1.0843	2.3377
H3	2.0828	1.0853		1.9240	2.4742
H4	2.0532	1.0843	1.9240		3.3275
O5	1.4579	2.3377	2.4742	3.3275

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	118.865		O1	C2	H4	116.192
C2	O1	O5	113.925		H3	C2	H4	124.943

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

using model chemistry: QCISD/3-21G*

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/3-21G*

States and conformations

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