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	hartrees
Energy at 0K	-189.437331
Energy at 298.15K	-189.439861
HF Energy	-189.437331
Nuclear repulsion energy	69.662507

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3225	3191	0.95
2	A'	3062	3030	1.11
3	A'	1456	1440	24.39
4	A'	1335	1321	21.89
5	A'	1211	1199	18.05
6	A'	972	962	61.73
7	A'	532	527	0.62
8	A"	786	778	41.03
9	A"	648	641	14.31

Atom	x (Å)	y (Å)
O1	0.000	0.458
C2	1.079	-0.232
H3	1.007	-1.323
H4	1.994	0.360
O5	-1.185	-0.164

	O1	C2	H3	H4	O5
O1		1.2808	2.0457	1.9965	1.3379
C2	1.2808		1.0931	1.0898	2.2648
H3	2.0457	1.0931		1.9508	2.4793
H4	1.9965	1.0898	1.9508		3.2216
O5	1.3379	2.2648	2.4793	3.2216

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	118.817		O1	C2	H4	114.510
C2	O1	O5	119.718		H3	C2	H4	126.673

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

using model chemistry: PBEPBE/6-311G*

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	0.028
2	C	-0.203
3	H	0.224
4	H	0.235
5	O	-0.284

	x	y	z	Total
	3.549	-0.345	0.000	3.566
CHELPG
AIM
ESP

	x	y	z
x	5.749	-0.070	0.000
y	-0.070	2.444	0.000
z	0.000	0.000	1.463

<r²>	37.784
(<r²>)^1/2	6.147

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

using model chemistry: PBEPBE/6-311G*

States and conformations

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