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	hartrees
Energy at 0K	-189.579915
Energy at 298.15K	-189.582496
HF Energy	-189.579915
Nuclear repulsion energy	69.945098

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3304	3175	0.43
2	A'	3149	3025	2.49
3	A'	1543	1482	24.49
4	A'	1405	1350	14.53
5	A'	1246	1197	19.28
6	A'	969	931	78.39
7	A'	530	510	0.39
8	A"	895	860	36.65
9	A"	676	649	4.17

Atom	x (Å)	y (Å)
O1	0.000	0.459
C2	1.073	-0.213
H3	1.016	-1.298
H4	1.987	0.368
O5	-1.180	-0.183

	O1	C2	H3	H4	O5
O1		1.2656	2.0290	1.9889	1.3429
C2	1.2656		1.0859	1.0834	2.2528
H3	2.0290	1.0859		1.9280	2.4631
H4	1.9889	1.0834	1.9280		3.2144
O5	1.3429	2.2528	2.4631	3.2144

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	119.078		O1	C2	H4	115.493
C2	O1	O5	119.433		H3	C2	H4	125.429

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

using model chemistry: B3LYP/6-31G**

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	-0.038
2	C	0.073
3	H	0.153
4	H	0.149
5	O	-0.337

	x	y	z	Total
	3.885	-0.374	0.000	3.903
CHELPG
AIM
ESP

	x	y	z
x	5.567	-0.029	0.000
y	-0.029	2.274	0.000
z	0.000	0.000	1.315

<r²>	37.308
(<r²>)^1/2	6.108

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

using model chemistry: B3LYP/6-31G**

States and conformations

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