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	hartrees
Energy at 0K	-189.575459
Energy at 298.15K	-189.578099
HF Energy	-189.575459
Nuclear repulsion energy	70.644058

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3291	3146	1.91
2	A'	3139	3000	4.36
3	A'	1631	1558	28.53
4	A'	1433	1370	8.02
5	A'	1263	1207	21.22
6	A'	930	888	131.14
7	A'	545	520	0.03
8	A"	1026	980	27.13
9	A"	709	677	2.21

Atom	x (Å)	y (Å)
O1	0.000	0.460
C2	1.057	-0.187
H3	1.004	-1.269
H4	1.967	0.397
O5	-1.164	-0.211

	O1	C2	H3	H4	O5
O1		1.2387	1.9997	1.9678	1.3435
C2	1.2387		1.0842	1.0814	2.2204
H3	1.9997	1.0842		1.9248	2.4120
H4	1.9678	1.0814	1.9248		3.1891
O5	1.3435	2.2204	2.4120	3.1891

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	118.680		O1	C2	H4	115.862
C2	O1	O5	118.548		H3	C2	H4	125.458

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

using model chemistry: M06-2X/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	-0.007
2	C	-0.452
3	H	0.484
4	H	0.444
5	O	-0.469

	x	y	z	Total
	4.658	-0.308	0.000	4.668
CHELPG
AIM
ESP

	x	y	z
x	6.458	0.016	0.000
y	0.016	3.089	0.000
z	0.000	0.000	2.483

<r²>	37.015
(<r²>)^1/2	6.084

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

using model chemistry: M06-2X/aug-cc-pVTZ

States and conformations

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