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	hartrees
Energy at 0K	-189.387827
Energy at 298.15K	-189.390436
HF Energy	-189.387827
Nuclear repulsion energy	70.541499

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3331	3179	0.36
2	A'	3172	3027	3.24
3	A'	1566	1494	33.93
4	A'	1417	1352	13.25
5	A'	1257	1200	25.18
6	A'	1021	974	85.05
7	A'	541	516	0.38
8	A"	903	861	41.03
9	A"	691	660	4.82

Atom	x (Å)	y (Å)
O1	0.000	0.453
C2	1.063	-0.224
H3	0.996	-1.308
H4	1.980	0.352
O5	-1.169	-0.166

	O1	C2	H3	H4	O5
O1		1.2603	2.0225	1.9829	1.3229
C2	1.2603		1.0859	1.0830	2.2333
H3	2.0225	1.0859		1.9299	2.4476
H4	1.9829	1.0830	1.9299		3.1920
O5	1.3229	2.2333	2.4476	3.1920

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	118.906		O1	C2	H4	115.398
C2	O1	O5	119.639		H3	C2	H4	125.696

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

using model chemistry: HSEh1PBE/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	-0.028
2	C	0.025
3	H	0.174
4	H	0.172
5	O	-0.343

	x	y	z	Total
	3.890	-0.407	0.000	3.911
CHELPG
AIM
ESP

	x	y	z
x	5.525	-0.075	0.000
y	-0.075	2.265	0.000
z	0.000	0.000	1.322

<r²>	36.863
(<r²>)^1/2	6.071

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

using model chemistry: HSEh1PBE/6-31G**

States and conformations

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