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	hartrees
Energy at 0K	-188.434176
Energy at 298.15K	-188.436634
HF Energy	-188.434176
Nuclear repulsion energy	67.008501

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3253	3198	3.25
2	A'	3097	3044	0.47
3	A'	1444	1419	4.74
4	A'	1265	1243	19.66
5	A'	1166	1146	6.66
6	A'	935	919	20.97
7	A'	477	469	0.70
8	A"	804	790	67.99
9	A"	610	600	9.14

Atom	x (Å)	y (Å)
O1	0.000	0.499
C2	1.117	-0.193
H3	1.071	-1.279
H4	2.031	0.392
O5	-1.225	-0.243

	O1	C2	H3	H4	O5
O1		1.3140	2.0759	2.0341	1.4328
C2	1.3140		1.0864	1.0858	2.3425
H3	2.0759	1.0864		1.9268	2.5193
H4	2.0341	1.0858	1.9268		3.3180
O5	1.4328	2.3425	2.5193	3.3180

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	119.422		O1	C2	H4	115.580
C2	O1	O5	116.970		H3	C2	H4	124.998

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

using model chemistry: B97D3/3-21G

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	-0.191
2	C	-0.062
3	H	0.239
4	H	0.239
5	O	-0.225

	x	y	z	Total
	3.369	-0.503	0.000	3.407
CHELPG
AIM
ESP

	x	y	z
x	5.334	0.154	0.000
y	0.154	1.969	0.000
z	0.000	0.000	0.887

<r²>	39.399
(<r²>)^1/2	6.277

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

using model chemistry: B97D3/3-21G

States and conformations

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