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	hartrees
Energy at 0K	-37.793182
Energy at 298.15K	-37.795438
HF Energy	-37.793182
Nuclear repulsion energy	37.052035

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3371	3076	7.49
2	A'	3233	2950	12.43
3	A'	1827	1667	137.24
4	A'	1590	1451	41.35
5	A'	1342	1225	13.92
6	A'	506	462	92.88
7	A'	369	337	1.98
8	A"	1307	1193	9.70
9	A"	543	495	0.97

Atom	x (Å)	y (Å)
O1	0.000	0.525
C2	1.118	0.019
H3	1.228	-1.057
H4	1.986	0.663
O5	-1.240	-0.491

	O1	C2	H3	H4	O5
O1		1.2272	2.0030	1.9907	1.6033
C2	1.2272		1.0816	1.0806	2.4128
H3	2.0030	1.0816		1.8791	2.5328
H4	1.9907	1.0806	1.8791		3.4263
O5	1.6033	2.4128	2.5328	3.4263

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	120.218		O1	C2	H4	119.083
C2	O1	O5	116.319		H3	C2	H4	120.699

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

using model chemistry: HF/CEP-121G

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	-0.157
2	C	0.081
3	H	0.184
4	H	0.178
5	O	-0.286

	x	y	z	Total
	5.524	-0.296	0.000	5.532
CHELPG
AIM
ESP

	x	y	z
x	4.603	0.440	0.000
y	0.440	2.319	0.000
z	0.000	0.000	1.140

<r²>	34.635
(<r²>)^1/2	5.885

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

using model chemistry: HF/CEP-121G

States and conformations

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