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	hartrees
Energy at 0K	-188.631084
Energy at 298.15K	-188.633647
HF Energy	-188.631084
Nuclear repulsion energy	70.505455

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3243	3182	1.11
2	A'	3077	3020	3.65
3	A'	1495	1467	42.14
4	A'	1357	1331	9.44
5	A'	1216	1193	29.68
6	A'	1064	1044	38.39
7	A'	536	526	1.08
8	A"	806	791	41.28
9	A"	662	650	15.07

Atom	x (Å)	y (Å)
O1	0.000	0.452
C2	1.064	-0.248
H3	0.967	-1.340
H4	1.992	0.327
O5	-1.168	-0.140

	O1	C2	H3	H4	O5
O1		1.2737	2.0360	1.9959	1.3094
C2	1.2737		1.0960	1.0918	2.2343
H3	2.0360	1.0960		1.9569	2.4484
H4	1.9959	1.0918	1.9569		3.1941
O5	1.3094	2.2343	2.4484	3.1941

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	118.257		O1	C2	H4	114.867
C2	O1	O5	119.751		H3	C2	H4	126.876

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

using model chemistry: LSDA/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	0.001
2	C	-0.047
3	H	0.174
4	H	0.174
5	O	-0.302

	x	y	z	Total
	3.397	-0.401	0.000	3.420
CHELPG
AIM
ESP

	x	y	z
x	5.390	-0.110	0.000
y	-0.110	2.350	0.000
z	0.000	0.000	1.349

<r²>	36.968
(<r²>)^1/2	6.080

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

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

States and conformations

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