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	hartrees
Energy at 0K	-189.555830
Energy at 298.15K	-189.558328
HF Energy	-189.555830
Nuclear repulsion energy	68.929441

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3230	3204	1.49
2	A'	3079	3054	0.72
3	A'	1463	1451	13.41
4	A'	1329	1318	20.92
5	A'	1205	1195	14.91
6	A'	944	936	50.47
7	A'	517	512	0.79
8	A"	792	785	36.09
9	A"	636	631	10.25

Atom	x (Å)	y (Å)
O1	0.000	0.467
C2	1.090	-0.223
H3	1.029	-1.314
H4	2.007	0.367
O5	-1.197	-0.181

	O1	C2	H3	H4	O5
O1		1.2899	2.0574	2.0094	1.3611
C2	1.2899		1.0931	1.0907	2.2871
H3	2.0574	1.0931		1.9452	2.4982
H4	2.0094	1.0907	1.9452		3.2505
O5	1.3611	2.2871	2.4982	3.2505

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	119.169		O1	C2	H4	114.896
C2	O1	O5	119.228		H3	C2	H4	125.935

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

using model chemistry: BLYP/6-31G*

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	-0.023
2	C	-0.023
3	H	0.175
4	H	0.173
5	O	-0.302

	x	y	z	Total
	3.512	-0.353	0.000	3.530
CHELPG
AIM
ESP

	x	y	z
x	5.599	-0.021	0.000
y	-0.021	2.336	0.000
z	0.000	0.000	1.315

<r²>	38.128
(<r²>)^1/2	6.175

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

using model chemistry: BLYP/6-31G*

States and conformations

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