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	hartrees
Energy at 0K	-189.554960
Energy at 298.15K	-189.557563
HF Energy	-189.554960
Nuclear repulsion energy	70.461732

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3292	3171	0.44
2	A'	3132	3017	2.85
3	A'	1535	1478	34.89
4	A'	1401	1349	14.97
5	A'	1245	1199	21.40
6	A'	980	944	93.91
7	A'	540	520	0.37
8	A"	901	868	41.41
9	A"	683	658	4.74

Atom	x (Å)	y (Å)
O1	0.000	0.452
C2	1.066	-0.218
H3	1.006	-1.302
H4	1.977	0.366
O5	-1.172	-0.171

	O1	C2	H3	H4	O5
O1		1.2587	2.0218	1.9788	1.3271
C2	1.2587		1.0856	1.0825	2.2383
H3	2.0218	1.0856		1.9304	2.4542
H4	1.9788	1.0825	1.9304		3.1945
O5	1.3271	2.2383	2.4542	3.1945

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	118.988		O1	C2	H4	115.183
C2	O1	O5	119.878		H3	C2	H4	125.830

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

using model chemistry: B3PW91/6-311G**

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	0.020
2	C	0.012
3	H	0.144
4	H	0.150
5	O	-0.326

	x	y	z	Total
	3.975	-0.377	0.000	3.992
CHELPG
AIM
ESP

	x	y	z
x	5.724	-0.064	0.000
y	-0.064	2.325	0.000
z	0.000	0.000	1.454

<r²>	37.083
(<r²>)^1/2	6.090

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

using model chemistry: B3PW91/6-311G**

States and conformations

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