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	hartrees
Energy at 0K	-186.979381
Energy at 298.15K	-186.981665
HF Energy	-186.979381
Nuclear repulsion energy	67.733197

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3589	3177	2.90
2	A'	3373	2985	52.11
3	A'	1550	1372	7.76
4	A'	1451	1284	21.40
5	A'	1278	1131	4.52
6	A'	1127	997	7.14
7	A'	509	451	1.23
8	A"	668	592	17.62
9	A"	539	477	48.91

Atom	x (Å)	y (Å)
O1	0.000	0.481
C2	1.106	-0.286
H3	1.029	-1.382
H4	2.057	0.260
O5	-1.215	-0.126

	O1	C2	H3	H4	O5
O1		1.3464	2.1282	2.0685	1.3586
C2	1.3464		1.0983	1.0964	2.3274
H3	2.1282	1.0983		1.9375	2.5720
H4	2.0685	1.0964	1.9375		3.2949
O5	1.3586	2.3274	2.5720	3.2949

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	120.702		O1	C2	H4	115.342
C2	O1	O5	118.720		H3	C2	H4	123.957

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

using model chemistry: B3PW91/STO-3G

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	0.002
2	C	-0.074
3	H	0.102
4	H	0.103
5	O	-0.134

	x	y	z	Total
	1.813	-0.369	0.000	1.850
CHELPG
AIM
ESP

	x	y	z
x	3.746	-0.152	0.000
y	-0.152	1.130	0.000
z	0.000	0.000	0.462

<r²>	38.324
(<r²>)^1/2	6.191

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

using model chemistry: B3PW91/STO-3G

States and conformations

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