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	hartrees
Energy at 0K	-189.454127
Energy at 298.15K
HF Energy	-189.263472
Nuclear repulsion energy	69.854170

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3330	3204	1.06
2	A'	3158	3039	6.49
3	A'	1485	1429	36.13
4	A'	1345	1294	74.93
5	A'	1238	1191	30.01
6	A'	974	937	139.01
7	A'	538	518	0.06
8	A"	892	859	35.09
9	A"	666	641	7.13

Atom	x (Å)	y (Å)
O1	0.000	0.463
C2	1.073	-0.225
H3	0.999	-1.312
H4	1.988	0.361
O5	-1.178	-0.175

	O1	C2	H3	H4	O5
O1		1.2741	2.0370	1.9910	1.3396
C2	1.2741		1.0900	1.0868	2.2512
H3	2.0370	1.0900		1.9435	2.4562
H4	1.9910	1.0868	1.9435		3.2114
O5	1.3396	2.2512	2.4562	3.2114

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	118.792		O1	C2	H4	114.757
C2	O1	O5	118.905		H3	C2	H4	126.451

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

using model chemistry: B2PLYP=FULLultrafine/aug-cc-pVDZ

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: B2PLYP=FULLultrafine/aug-cc-pVDZ

States and conformations

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