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	hartrees
Energy at 0K	-189.331185
Energy at 298.15K	-189.333801
HF Energy	-188.635627
Nuclear repulsion energy	70.976839

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3315	3315	1.33
2	A'	3193	3193	7.39
3	A'	1641	1641	51.07
4	A'	1453	1453	13.20
5	A'	1276	1276	26.46
6	A'	843	843	286.93
7	A'	531	531	7.39
8	A"	1035	1035	26.76
9	A"	720	720	2.58

Atom	x (Å)	y (Å)
O1	0.000	0.460
C2	1.051	-0.188
H3	0.997	-1.265
H4	1.957	0.391
O5	-1.157	-0.209

	O1	C2	H3	H4	O5
O1		1.2346	1.9921	1.9578	1.3366
C2	1.2346		1.0778	1.0754	2.2082
H3	1.9921	1.0778		1.9139	2.3992
H4	1.9578	1.0754	1.9139		3.1712
O5	1.3366	2.2082	2.3992	3.1712

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	118.809		O1	C2	H4	115.724
C2	O1	O5	118.312		H3	C2	H4	125.466

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

using model chemistry: MP3=FULL/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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All results from a given calculation for H2COO (Dioxymethyl radical)

using model chemistry: MP3=FULL/aug-cc-pVTZ

States and conformations

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