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	hartrees
Energy at 0K	-189.558966
Energy at 298.15K	-189.561576
HF Energy	-189.558966
Nuclear repulsion energy	70.719832

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3311	3179	0.42
2	A'	3150	3024	3.31
3	A'	1561	1499	36.07
4	A'	1414	1358	12.01
5	A'	1252	1202	22.15
6	A'	974	935	103.66
7	A'	538	516	0.29
8	A"	921	885	39.44
9	A"	690	663	3.92

Atom	x (Å)	y (Å)
O1	0.000	0.451
C2	1.061	-0.214
H3	0.999	-1.295
H4	1.971	0.368
O5	-1.167	-0.175

	O1	C2	H3	H4	O5
O1		1.2521	2.0116	1.9727	1.3243
C2	1.2521		1.0830	1.0798	2.2287
H3	2.0116	1.0830		1.9259	2.4391
H4	1.9727	1.0798	1.9259		3.1847
O5	1.3243	2.2287	2.4391	3.1847

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	118.787		O1	C2	H4	115.352
C2	O1	O5	119.752		H3	C2	H4	125.861

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

using model chemistry: B1B95/6-311G**

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	0.023
2	C	0.014
3	H	0.145
4	H	0.150
5	O	-0.333

	x	y	z	Total
	4.046	-0.358	0.000	4.062
CHELPG
AIM
ESP

	x	y	z
x	5.678	-0.049	0.000
y	-0.049	2.310	0.000
z	0.000	0.000	1.438

<r²>	36.854
(<r²>)^1/2	6.071

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

using model chemistry: B1B95/6-311G**

States and conformations

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