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	hartrees
Energy at 0K	-189.290489
Energy at 298.15K	-189.292989
HF Energy	-189.162016
Nuclear repulsion energy	67.681043

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3355	3355	1.15
2	A'	3192	3192	7.08
3	A'	1504	1504	11.32
4	A'	1296	1296	62.77
5	A'	1235	1235	8.50
6	A'	826	826	114.59
7	A'	494	494	0.31
8	A"	917	917	55.40
9	A"	646	646	3.78

Atom	x (Å)	y (Å)
O1	0.000	0.479
C2	1.113	-0.181
H3	1.085	-1.264
H4	2.013	0.417
O5	-1.222	-0.237

	O1	C2	H3	H4	O5
O1		1.2942	2.0530	2.0139	1.4163
C2	1.2942		1.0832	1.0802	2.3362
H3	2.0530	1.0832		1.9197	2.5259
H4	2.0139	1.0802	1.9197		3.3006
O5	1.4163	2.3362	2.5259	3.3006

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	119.177		O1	C2	H4	115.734
C2	O1	O5	119.001		H3	C2	H4	125.089

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

using model chemistry: B2PLYP/6-31G

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	-0.159
2	C	0.049
3	H	0.196
4	H	0.196
5	O	-0.282

	x	y	z	Total
	4.196	-0.543	0.000	4.231
CHELPG
AIM
ESP

	x	y	z
x	6.296	0.174	0.000
y	0.174	2.078	0.000
z	0.000	0.000	1.001

<r²>	39.356
(<r²>)^1/2	6.273

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

using model chemistry: B2PLYP/6-31G

States and conformations

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