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	hartrees
Energy at 0K	-186.057417
Energy at 298.15K	-186.059691
HF Energy	-186.057417
Nuclear repulsion energy	68.090425

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3760	3070	3.11
2	A'	3569	2914	82.01
3	A'	1875	1531	4.24
4	A'	1625	1326	0.99
5	A'	1358	1109	13.88
6	A'	601	491	50.30
7	A'	444	362	0.40
8	A"	1132	924	21.17
9	A"	630	514	0.03

Atom	x (Å)	y (Å)
O1	0.000	0.469
C2	1.099	-0.131
H3	1.146	-1.224
H4	2.023	0.454
O5	-1.220	-0.275

	O1	C2	H3	H4	O5
O1		1.2520	2.0447	2.0234	1.4294
C2	1.2520		1.0946	1.0939	2.3238
H3	2.0447	1.0946		1.8938	2.5497
H4	2.0234	1.0939	1.8938		3.3247
O5	1.4294	2.3238	2.5497	3.3247

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	121.095		O1	C2	H4	119.057
C2	O1	O5	119.998		H3	C2	H4	119.848

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

using model chemistry: HF/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	-0.062
2	C	0.094
3	H	0.111
4	H	0.105
5	O	-0.249

	x	y	z	Total
	3.650	-0.212	0.000	3.656
CHELPG
AIM
ESP

	x	y	z
x	3.828	0.073	0.000
y	0.073	1.105	0.000
z	0.000	0.000	0.396

<r²>	38.076
(<r²>)^1/2	6.171

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

using model chemistry: HF/STO-3G

States and conformations

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