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	hartrees
Energy at 0K	-189.602170
Energy at 298.15K	-189.604799
HF Energy	-189.602170
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3293	3293	0.45
2	A'	3141	3141	3.40
3	A'	1586	1586	39.35
4	A'	1420	1420	12.52
5	A'	1259	1259	24.96
6	A'	978	978	125.47
7	A'	546	546	0.11
8	A"	965	965	33.78
9	A"	693	693	2.94

Atom	x (Å)	y (Å)
O1	0.000	0.454
C2	1.057	-0.205
H3	1.000	-1.287
H4	1.968	0.375
O5	-1.163	-0.186

	O1	C2	H3	H4	O5
O1		1.2452	2.0074	1.9693	1.3279
C2	1.2452		1.0834	1.0802	2.2200
H3	2.0074	1.0834		1.9235	2.4269
H4	1.9693	1.0802	1.9235		3.1810
O5	1.3279	2.2200	2.4269	3.1810

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	118.940		O1	C2	H4	115.559
C2	O1	O5	119.222		H3	C2	H4	125.501

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

using model chemistry: wB97X-D/cc-pVQZ

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	0.059
2	C	0.161
3	H	0.069
4	H	0.108
5	O	-0.398

	x	y	z	Total
	4.286	-0.328	0.000	4.298
CHELPG
AIM
ESP

	x	y	z
x	6.246	-0.030	0.000
y	-0.030	2.820	0.000
z	0.000	0.000	2.092

<r²>	36.788
(<r²>)^1/2	6.065

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

using model chemistry: wB97X-D/cc-pVQZ

States and conformations

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