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	hartrees
Energy at 0K	-189.555616
Energy at 298.15K	-189.558219
HF Energy	-189.555616
Nuclear repulsion energy	70.715955

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3320	3183	0.49
2	A'	3159	3028	1.94
3	A'	1569	1504	33.55
4	A'	1421	1362	12.46
5	A'	1265	1213	21.09
6	A'	972	932	103.51
7	A'	540	518	0.25
8	A"	905	867	40.93
9	A"	691	662	4.62

Atom	x (Å)	y (Å)
O1	0.000	0.451
C2	1.061	-0.212
H3	1.000	-1.293
H4	1.970	0.371
O5	-1.167	-0.177

	O1	C2	H3	H4	O5
O1		1.2511	2.0104	1.9721	1.3254
C2	1.2511		1.0833	1.0801	2.2286
H3	2.0104	1.0833		1.9269	2.4375
H4	1.9721	1.0801	1.9269		3.1852
O5	1.3254	2.2286	2.4375	3.1852

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	118.729		O1	C2	H4	115.351
C2	O1	O5	119.734		H3	C2	H4	125.920

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	0.024
2	C	-0.174
3	H	0.239
4	H	0.245
5	O	-0.334

	x	y	z	Total
	4.079	-0.354	0.000	4.095
CHELPG
AIM
ESP

	x	y	z
x	5.640	-0.036	0.000
y	-0.036	2.286	0.000
z	0.000	0.000	1.393

<r²>	36.862
(<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)