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	hartrees
Energy at 0K	-186.992689
Energy at 298.15K	-186.994812
HF Energy	-186.992689
Nuclear repulsion energy	66.753553

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3493	3493	0.82
2	A'	3269	3269	32.42
3	A'	1495	1495	1.81
4	A'	1338	1338	14.66
5	A'	1213	1213	4.81
6	A'	1071	1071	3.05
7	A'	496	496	1.04
8	A"	631	631	7.23
9	A"	414	414	56.62

Atom	x (Å)	y (Å)
O1	0.000	0.494
C2	1.121	-0.300
H3	1.035	-1.402
H4	2.079	0.248
O5	-1.230	-0.125

	O1	C2	H3	H4	O5
O1		1.3742	2.1603	2.0932	1.3771
C2	1.3742		1.1052	1.1032	2.3579
H3	2.1603	1.1052		1.9524	2.6002
H4	2.0932	1.1032	1.9524		3.3296
O5	1.3771	2.3579	2.6002	3.3296

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	120.834		O1	C2	H4	114.886
C2	O1	O5	117.964		H3	C2	H4	124.280

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

using model chemistry: B97D3/STO-3G

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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Number	Element	Mulliken
1	O	0.001
2	C	-0.067
3	H	0.093
4	H	0.094
5	O	-0.121

	x	y	z	Total
	1.640	-0.363	0.000	1.680
CHELPG
AIM
ESP

	x	y	z
x	3.719	-0.151	0.000
y	-0.151	1.179	0.000
z	0.000	0.000	0.475

<r²>	39.103
(<r²>)^1/2	6.253

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

using model chemistry: B97D3/STO-3G

States and conformations

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