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	hartrees
Energy at 0K	-189.567626
Energy at 298.15K	-189.570272
HF Energy	-189.567626
Nuclear repulsion energy	70.820445

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3290	3290	1.96
2	A'	3136	3136	4.30
3	A'	1632	1632	31.91
4	A'	1436	1436	8.32
5	A'	1268	1268	23.62
6	A'	947	947	136.94
7	A'	548	548	0.01
8	A"	1022	1022	29.28
9	A"	713	713	2.33

Atom	x (Å)	y (Å)
O1	0.000	0.456
C2	1.055	-0.191
H3	1.002	-1.274
H4	1.966	0.392
O5	-1.163	-0.202

	O1	C2	H3	H4	O5
O1		1.2379	1.9994	1.9669	1.3355
C2	1.2379		1.0844	1.0813	2.2179
H3	1.9994	1.0844		1.9250	2.4158
H4	1.9669	1.0813	1.9250		3.1842
O5	1.3355	2.2179	2.4158	3.1842

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	118.693		O1	C2	H4	115.848
C2	O1	O5	118.998		H3	C2	H4	125.459

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

using model chemistry: M06-2X/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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Number	Element	Mulliken
1	O	-0.040
2	C	0.120
3	H	0.228
4	H	0.215
5	O	-0.522

	x	y	z	Total
	4.607	-0.334	0.000	4.619
CHELPG
AIM
ESP

	x	y	z
x	6.356	-0.005	0.000
y	-0.005	2.954	0.000
z	0.000	0.000	2.338

<r²>	36.907
(<r²>)^1/2	6.075

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

using model chemistry: M06-2X/6-311+G(3df,2p)

States and conformations

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