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	hartrees
Energy at 0K	-189.516241
Energy at 298.15K	-189.518836
HF Energy	-189.516241
Nuclear repulsion energy	70.167032

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3313	3181	0.55
2	A'	3155	3029	4.27
3	A'	1553	1491	37.60
4	A'	1408	1352	16.54
5	A'	1247	1197	23.77
6	A'	977	938	105.55
7	A'	533	512	0.06
8	A"	921	884	43.37
9	A"	678	651	5.67

Atom	x (Å)	y (Å)
O1	0.000	0.456
C2	1.069	-0.212
H3	1.016	-1.298
H4	1.980	0.376
O5	-1.176	-0.181

	O1	C2	H3	H4	O5
O1		1.2608	2.0269	1.9812	1.3376
C2	1.2608		1.0870	1.0842	2.2458
H3	2.0269	1.0870		1.9317	2.4609
H4	1.9812	1.0842	1.9317		3.2048
O5	1.3376	2.2458	2.4609	3.2048

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	119.206		O1	C2	H4	115.113
C2	O1	O5	119.586		H3	C2	H4	125.681

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

using model chemistry: B3PW91/6-31+G**

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	0.114
2	C	-0.099
3	H	0.201
4	H	0.189
5	O	-0.405

	x	y	z	Total
	4.343	-0.405	0.000	4.361
CHELPG
AIM
ESP

	x	y	z
x	6.400	-0.058	0.000
y	-0.058	2.736	0.000
z	0.000	0.000	1.928

<r²>	37.491
(<r²>)^1/2	6.123

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

using model chemistry: B3PW91/6-31+G**

States and conformations

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