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	hartrees
Energy at 0K	-188.537742
Energy at 298.15K	-188.539931
HF Energy	-188.537742
Nuclear repulsion energy	65.359420

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3425	3082	9.41
2	A'	3302	2972	22.20
3	A'	1850	1664	142.52
4	A'	1611	1450	45.83
5	A'	1349	1214	11.09
6	A'	482	433	100.09
7	A'	347	313	1.71
8	A"	1325	1192	12.25
9	A"	531	478	1.04

Atom	x (Å)	y (Å)
O1	0.000	0.530
C2	1.120	0.042
H3	1.251	-1.028
H4	1.980	0.692
O5	-1.244	-0.520

	O1	C2	H3	H4	O5
O1		1.2220	1.9980	1.9863	1.6281
C2	1.2220		1.0777	1.0775	2.4299
H3	1.9980	1.0777		1.8677	2.5457
H4	1.9863	1.0775	1.8677		3.4439
O5	1.6281	2.4299	2.5457	3.4439

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	120.517		O1	C2	H4	119.361
C2	O1	O5	116.260		H3	C2	H4	120.122

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

using model chemistry: HF/LANL2DZ

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	-0.230
2	C	0.074
3	H	0.224
4	H	0.207
5	O	-0.276

	x	y	z	Total
	5.434	-0.285	0.000	5.441
CHELPG
AIM
ESP

	x	y	z
x	4.372	0.500	0.000
y	0.500	2.167	0.000
z	0.000	0.000	0.955

<r²>	41.625
(<r²>)^1/2	6.452

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

using model chemistry: HF/LANL2DZ

States and conformations

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