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	hartrees
Energy at 0K	-188.593456
Energy at 298.15K	-188.595904
HF Energy	-188.593456
Nuclear repulsion energy	69.096151

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3386	3083	0.39
2	A'	3252	2961	12.44
3	A'	1895	1726	99.60
4	A'	1565	1426	31.46
5	A'	1336	1217	18.16
6	A'	560	510	28.95
7	A'	473	431	10.24
8	A"	1301	1185	6.92
9	A"	645	587	0.53

Atom	x (Å)	y (Å)
O1	0.000	0.506
C2	1.054	-0.071
H3	1.073	-1.156
H4	1.962	0.525
O5	-1.170	-0.374

	O1	C2	H3	H4	O5
O1		1.2016	1.9786	1.9622	1.4638
C2	1.2016		1.0858	1.0858	2.2448
H3	1.9786	1.0858		1.9017	2.3760
H4	1.9622	1.0858	1.9017		3.2586
O5	1.4638	2.2448	2.3760	3.2586

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	119.681		O1	C2	H4	118.067
C2	O1	O5	114.397		H3	C2	H4	122.252

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

using model chemistry: HF/aug-cc-pVDZ

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	-0.240
2	C	0.887
3	H	-0.053
4	H	-0.102
5	O	-0.492

	x	y	z	Total
	5.618	-0.073	0.000	5.619
CHELPG
AIM
ESP

	x	y	z
x	5.001	0.288	0.000
y	0.288	2.903	0.000
z	0.000	0.000	2.193

<r²>	37.825
(<r²>)^1/2	6.150

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

using model chemistry: HF/aug-cc-pVDZ

States and conformations

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