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	hartrees
Energy at 0K	-188.640718
Energy at 298.15K	-188.643199
HF Energy	-188.640718
Nuclear repulsion energy	69.502818

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3361	3059	0.48
2	A'	3235	2945	11.73
3	A'	1907	1736	93.05
4	A'	1582	1440	30.43
5	A'	1351	1230	18.01
6	A'	600	546	24.58
7	A'	476	433	8.16
8	A"	1308	1191	6.89
9	A"	655	596	0.54

Atom	x (Å)	y (Å)
O1	0.000	0.497
C2	1.052	-0.072
H3	1.078	-1.151
H4	1.953	0.521
O5	-1.168	-0.364

	O1	C2	H3	H4	O5
O1		1.1959	1.9690	1.9527	1.4506
C2	1.1959		1.0786	1.0788	2.2384
H3	1.9690	1.0786		1.8867	2.3797
H4	1.9527	1.0788	1.8867		3.2433
O5	1.4506	2.2384	2.3797	3.2433

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	119.834		O1	C2	H4	118.188
C2	O1	O5	115.176		H3	C2	H4	121.978

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

using model chemistry: HF/aug-cc-pVTZ

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	-0.113
2	C	-0.537
3	H	0.579
4	H	0.571
5	O	-0.499

	x	y	z	Total
	5.620	-0.040	0.000	5.620
CHELPG
AIM
ESP

	x	y	z
x	5.006	0.266	0.000
y	0.266	2.945	0.000
z	0.000	0.000	2.280

<r²>	37.540
(<r²>)^1/2	6.127

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

using model chemistry: HF/aug-cc-pVTZ

States and conformations

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