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	hartrees
Energy at 0K	-38.569548
Energy at 298.15K	-38.572058
HF Energy	-38.569548
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3324	3324	4.37
2	A'	3165	3165	2.44
3	A'	1524	1524	19.47
4	A'	1409	1409	12.22
5	A'	1240	1240	8.66
6	A'	833	833	81.22
7	A'	479	479	0.00
8	A"	1003	1003	74.43
9	A"	641	641	2.47

Atom	x (Å)	y (Å)
O1	0.000	0.476
C2	1.110	-0.167
H3	1.100	-1.259
H4	2.014	0.441
O5	-1.222	-0.249

	O1	C2	H3	H4	O5
O1		1.2826	2.0541	2.0148	1.4206
C2	1.2826		1.0927	1.0897	2.3336
H3	2.0541	1.0927		1.9311	2.5318
H4	2.0148	1.0897	1.9311		3.3092
O5	1.4206	2.3336	2.5318	3.3092

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	119.496		O1	C2	H4	116.032
C2	O1	O5	119.279		H3	C2	H4	124.473

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

using model chemistry: wB97X-D/CEP-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	0.076
2	C	-0.231
3	H	0.242
4	H	0.240
5	O	-0.327

	x	y	z	Total
	4.928	-0.625	0.000	4.967
CHELPG
AIM
ESP

	x	y	z
x	6.209	0.140	0.000
y	0.140	1.979	0.000
z	0.000	0.000	1.194

<r²>	33.181
(<r²>)^1/2	5.760

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

using model chemistry: wB97X-D/CEP-31G

States and conformations

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