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	hartrees
Energy at 0K	-189.529129
Energy at 298.15K	-189.531773
HF Energy	-189.529129
Nuclear repulsion energy	70.581308

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3317	3317	2.03
2	A'	3152	3152	4.84
3	A'	1617	1617	36.45
4	A'	1423	1423	9.00
5	A'	1255	1255	24.85
6	A'	949	949	141.78
7	A'	550	550	0.00
8	A"	1009	1009	32.64
9	A"	708	708	2.55

Atom	x (Å)	y (Å)
O1	0.000	0.460
C2	1.058	-0.199
H3	0.992	-1.288
H4	1.975	0.386
O5	-1.164	-0.198

	O1	C2	H3	H4	O5
O1		1.2460	2.0098	1.9762	1.3368
C2	1.2460		1.0912	1.0879	2.2218
H3	2.0098	1.0912		1.9416	2.4163
H4	1.9762	1.0879	1.9416		3.1927
O5	1.3368	2.2218	2.4163	3.1927

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	118.462		O1	C2	H4	115.547
C2	O1	O5	118.644		H3	C2	H4	125.992

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

using model chemistry: M06-2X/aug-cc-pVDZ

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	0.910
3	H	-0.195
4	H	-0.262
5	O	-0.477

	x	y	z	Total
	4.558	-0.357	0.000	4.572
CHELPG
AIM
ESP

	x	y	z
x	6.534	-0.028	0.000
y	-0.028	3.026	0.000
z	0.000	0.000	2.406

<r²>	37.088
(<r²>)^1/2	6.090

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

using model chemistry: M06-2X/aug-cc-pVDZ

States and conformations

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