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	hartrees
Energy at 0K	-189.504913
Energy at 298.15K	-189.507560
HF Energy	-189.504913
Nuclear repulsion energy	70.935848

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3312	3154	0.64
2	A'	3155	3005	5.65
3	A'	1616	1539	33.77
4	A'	1427	1359	7.98
5	A'	1267	1207	26.71
6	A'	999	951	115.22
7	A'	553	527	0.19
8	A"	974	927	31.95
9	A"	717	683	1.96

Atom	x (Å)	y (Å)
O1	0.000	0.453
C2	1.055	-0.209
H3	0.986	-1.292
H4	1.973	0.365
O5	-1.161	-0.180

	O1	C2	H3	H4	O5
O1		1.2454	2.0044	1.9747	1.3224
C2	1.2454		1.0858	1.0825	2.2163
H3	2.0044	1.0858		1.9292	2.4179
H4	1.9747	1.0825	1.9292		3.1810
O5	1.3224	2.2163	2.4179	3.1810

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	118.434		O1	C2	H4	115.877
C2	O1	O5	119.309		H3	C2	H4	125.689

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

using model chemistry: M06-2X/6-31G(2df,p)

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	0.096
2	C	-0.078
3	H	0.183
4	H	0.181
5	O	-0.381

	x	y	z	Total
	4.105	-0.360	0.000	4.121
CHELPG
AIM
ESP

	x	y	z
x	5.590	-0.039	0.000
y	-0.039	2.466	0.000
z	0.000	0.000	1.638

<r²>	36.497
(<r²>)^1/2	6.041

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

using model chemistry: M06-2X/6-31G(2df,p)

States and conformations

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