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	hartrees
Energy at 0K	-186.988830
Energy at 298.15K	-186.990930
HF Energy	-186.988830
Nuclear repulsion energy	66.305729

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3460	3201	0.83
2	A'	3241	2999	29.53
3	A'	1482	1372	1.77
4	A'	1321	1222	14.26
5	A'	1196	1107	5.08
6	A'	1059	980	2.51
7	A'	484	448	0.99
8	A"	620	573	7.63
9	A"	414	383	57.41

Atom	x (Å)	y (Å)
O1	0.000	0.499
C2	1.130	-0.296
H3	1.046	-1.400
H4	2.087	0.255
O5	-1.239	-0.133

	O1	C2	H3	H4	O5
O1		1.3814	2.1675	2.1010	1.3907
C2	1.3814		1.1068	1.1049	2.3741
H3	2.1675	1.1068		1.9557	2.6120
H4	2.1010	1.1049	1.9557		3.3483
O5	1.3907	2.3741	2.6120	3.3483

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	120.779		O1	C2	H4	114.902
C2	O1	O5	117.834		H3	C2	H4	124.319

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

using model chemistry: BLYP/STO-3G

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	0.004
2	C	-0.076
3	H	0.092
4	H	0.093
5	O	-0.113

	x	y	z	Total
	1.554	-0.346	0.000	1.592
CHELPG
AIM
ESP

	x	y	z
x	3.757	-0.137	0.000
y	-0.137	1.188	0.000
z	0.000	0.000	0.478

<r²>	39.477
(<r²>)^1/2	6.283

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

using model chemistry: BLYP/STO-3G

States and conformations

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