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	hartrees
Energy at 0K	-189.348852
Energy at 298.15K	-189.351459
HF Energy	-188.629212
Nuclear repulsion energy	70.498854

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3323	3323	1.09
2	A'	3171	3171	4.65
3	A'	1594	1594	41.95
4	A'	1430	1430	16.28
5	A'	1264	1264	18.21
6	A'	896	896	138.49
7	A'	534	534	0.10
8	A"	1001	1001	26.61
9	A"	686	686	2.79

Atom	x (Å)	y (Å)
O1	0.000	0.464
C2	1.058	-0.190
H3	1.006	-1.270
H4	1.967	0.391
O5	-1.165	-0.212

	O1	C2	H3	H4	O5
O1		1.2437	2.0051	1.9681	1.3466
C2	1.2437		1.0814	1.0788	2.2226
H3	2.0051	1.0814		1.9189	2.4151
H4	1.9681	1.0788	1.9189		3.1889
O5	1.3466	2.2226	2.4151	3.1889

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	119.002		O1	C2	H4	115.677
C2	O1	O5	118.134		H3	C2	H4	125.321

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

using model chemistry: CCSD=FULL/6-311+G(3df,2p)

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/6-311+G(3df,2p)

States and conformations

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