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	hartrees
Energy at 0K	-186.867032
Energy at 298.15K	-186.869342
HF Energy	-186.867032
Nuclear repulsion energy	68.024696

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3617	3195	3.41
2	A'	3400	3003	56.83
3	A'	1564	1381	10.28
4	A'	1473	1301	22.61
5	A'	1295	1144	4.82
6	A'	1138	1005	8.36
7	A'	513	453	1.30
8	A"	681	601	20.66
9	A"	556	491	46.06

Atom	x (Å)	y (Å)
O1	0.000	0.478
C2	1.102	-0.285
H3	1.023	-1.379
H4	2.051	0.259
O5	-1.210	-0.124

	O1	C2	H3	H4	O5
O1		1.3401	2.1199	2.0629	1.3520
C2	1.3401		1.0967	1.0947	2.3175
H3	2.1199	1.0967		1.9345	2.5612
H4	2.0629	1.0947	1.9345		3.2841
O5	1.3520	2.3175	2.5612	3.2841

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	120.586		O1	C2	H4	115.459
C2	O1	O5	118.822		H3	C2	H4	123.955

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

using model chemistry: HSEh1PBE/STO-3G

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	0.004
2	C	-0.074
3	H	0.103
4	H	0.105
5	O	-0.138

	x	y	z	Total
	1.854	-0.366	0.000	1.889
CHELPG
AIM
ESP

	x	y	z
x	3.744	-0.155	0.000
y	-0.155	1.120	0.000
z	0.000	0.000	0.459

<r²>	38.093
(<r²>)^1/2	6.172

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

using model chemistry: HSEh1PBE/STO-3G

States and conformations

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