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	hartrees
Energy at 0K	-189.145610
Energy at 298.15K	-189.148174
HF Energy	-188.587051
Nuclear repulsion energy	69.460786

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3312	3191	0.56
2	A'	3154	3039	3.62
3	A'	1554	1497	34.58
4	A'	1400	1348	18.12
5	A'	1236	1191	15.16
6	A'	828	797	127.74
7	A'	524	504	0.17
8	A"	980	944	25.28
9	A"	661	636	2.90

Atom	x (Å)	y (Å)
O1	0.000	0.479
C2	1.069	-0.188
H3	1.011	-1.281
H4	1.990	0.400
O5	-1.177	-0.228

	O1	C2	H3	H4	O5
O1		1.2604	2.0303	1.9916	1.3734
C2	1.2604		1.0949	1.0927	2.2468
H3	2.0303	1.0949		1.9458	2.4286
H4	1.9916	1.0927	1.9458		3.2290
O5	1.3734	2.2468	2.4286	3.2290

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	118.921		O1	C2	H4	115.461
C2	O1	O5	117.033		H3	C2	H4	125.618

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

using model chemistry: CCSD/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: CCSD/aug-cc-pVDZ

States and conformations

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