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	hartrees
Energy at 0K	-189.522711
Energy at 298.15K	-189.525331
HF Energy	-189.522711
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3322	3165	0.86
2	A'	3155	3005	3.86
3	A'	1565	1491	42.04
4	A'	1403	1337	10.50
5	A'	1243	1184	27.81
6	A'	999	951	108.63
7	A'	547	521	0.44
8	A"	916	873	37.63
9	A"	692	659	2.28

Atom	x (Å)	y (Å)
O1	0.000	0.454
C2	1.059	-0.221
H3	0.986	-1.312
H4	1.982	0.358
O5	-1.165	-0.169

	O1	C2	H3	H4	O5
O1		1.2560	2.0231	1.9844	1.3215
C2	1.2560		1.0936	1.0898	2.2247
H3	2.0231	1.0936		1.9450	2.4360
H4	1.9844	1.0898	1.9450		3.1911
O5	1.3215	2.2247	2.4360	3.1911

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	118.702		O1	C2	H4	115.355
C2	O1	O5	119.321		H3	C2	H4	125.944

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

using model chemistry: wB97X-D/cc-pVDZ

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	0.063
2	C	0.101
3	H	0.081
4	H	0.089
5	O	-0.335

	x	y	z	Total
	3.960	-0.346	0.000	3.976
CHELPG
AIM
ESP

	x	y	z
x	5.589	-0.064	0.000
y	-0.064	2.228	0.000
z	0.000	0.000	1.302

<r²>	36.765
(<r²>)^1/2	6.063

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

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

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