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	hartrees
Energy at 0K	-38.632421
Energy at 298.15K	-38.635012
HF Energy	-38.632421
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3289	3289	1.51
2	A'	3134	3134	0.55
3	A'	1569	1569	31.64
4	A'	1419	1419	13.07
5	A'	1252	1252	22.99
6	A'	952	952	119.32
7	A'	524	524	0.07
8	A"	954	954	43.55
9	A"	678	678	2.57

Atom	x (Å)	y (Å)
O1	0.000	0.465
C2	1.070	-0.196
H3	1.019	-1.285
H4	1.987	0.387
O5	-1.178	-0.205

	O1	C2	H3	H4	O5
O1		1.2580	2.0243	1.9881	1.3555
C2	1.2580		1.0894	1.0865	2.2487
H3	2.0243	1.0894		1.9319	2.4480
H4	1.9881	1.0865	1.9319		3.2200
O5	1.3555	2.2487	2.4480	3.2200

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	118.994		O1	C2	H4	115.792
C2	O1	O5	118.678		H3	C2	H4	125.214

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

using model chemistry: wB97X-D/CEP-121G*

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	0.118
2	C	-0.145
3	H	0.217
4	H	0.215
5	O	-0.404

	x	y	z	Total
	4.486	-0.346	0.000	4.500
CHELPG
AIM
ESP

	x	y	z
x	6.144	-0.017	0.000
y	-0.017	2.472	0.000
z	0.000	0.000	1.605

<r²>	31.719
(<r²>)^1/2	5.632

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

using model chemistry: wB97X-D/CEP-121G*

States and conformations

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