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	hartrees
Energy at 0K	-188.717284
Energy at 298.15K	-188.719866
HF Energy	-188.717284
Nuclear repulsion energy	70.701617

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3207	3177	2.91
2	A'	3044	3015	5.11
3	A'	1490	1476	52.19
4	A'	1341	1329	11.50
5	A'	1202	1191	29.49
6	A'	1030	1020	65.93
7	A'	538	533	0.50
8	A"	844	836	36.80
9	A"	667	661	10.41

Atom	x (Å)	y (Å)
O1	0.000	0.451
C2	1.061	-0.233
H3	0.978	-1.324
H4	1.979	0.353
O5	-1.165	-0.155

	O1	C2	H3	H4	O5
O1		1.2619	2.0266	1.9817	1.3131
C2	1.2619		1.0940	1.0896	2.2269
H3	2.0266	1.0940		1.9529	2.4413
H4	1.9817	1.0896	1.9529		3.1850
O5	1.3131	2.2269	2.4413	3.1850

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	118.499		O1	C2	H4	114.655
C2	O1	O5	119.708		H3	C2	H4	126.846

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

using model chemistry: LSDA/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	0.077
2	C	-0.384
3	H	0.359
4	H	0.361
5	O	-0.413

	x	y	z	Total
	3.748	-0.387	0.000	3.768
CHELPG
AIM
ESP

	x	y	z
x	6.673	-0.122	0.000
y	-0.122	3.393	0.000
z	0.000	0.000	2.665

<r²>	37.218
(<r²>)^1/2	6.101

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

using model chemistry: LSDA/aug-cc-pVTZ

States and conformations

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