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	hartrees
Energy at 0K	-189.590456
Energy at 298.15K	-189.593082
HF Energy	-189.590456
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3292	3149	0.59
2	A'	3140	3004	3.76
3	A'	1592	1523	39.48
4	A'	1419	1358	11.62
5	A'	1254	1200	24.73
6	A'	964	922	129.67
7	A'	542	518	0.03
8	A"	973	930	31.53
9	A"	691	661	3.18

Atom	x (Å)	y (Å)
O1	0.000	0.457
C2	1.058	-0.200
H3	1.005	-1.282
H4	1.968	0.382
O5	-1.165	-0.194

	O1	C2	H3	H4	O5
O1		1.2450	2.0085	1.9695	1.3344
C2	1.2450		1.0838	1.0807	2.2225
H3	2.0085	1.0838		1.9234	2.4270
H4	1.9695	1.0807	1.9234		3.1855
O5	1.3344	2.2225	2.4270	3.1855

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	119.028		O1	C2	H4	115.564
C2	O1	O5	118.962		H3	C2	H4	125.408

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

using model chemistry: wB97X-D/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	0.048
2	C	-0.341
3	H	0.404
4	H	0.380
5	O	-0.491

	x	y	z	Total
	4.414	-0.320	0.000	4.426
CHELPG
AIM
ESP

	x	y	z
x	6.675	-0.041	0.000
y	-0.041	3.186	0.000
z	0.000	0.000	2.556

<r²>	36.973
(<r²>)^1/2	6.081

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

using model chemistry: wB97X-D/aug-cc-pVTZ

States and conformations

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