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	hartrees
Energy at 0K	-189.180668
Energy at 298.15K	-189.183185
HF Energy	-188.583107
Nuclear repulsion energy	68.915205

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3301	3202
2	A'	3135	3041
3	A'	1479	1434
4	A'	1322	1282
5	A'	1212	1176
6	A'	841	816
7	A'	525	509
8	A"	865	839
9	A"	629	611

Atom	x (Å)	y (Å)
O1	0.000	0.481
C2	1.082	-0.208
H3	1.011	-1.301
H4	2.002	0.382
O5	-1.188	-0.211

	O1	C2	H3	H4	O5
O1		1.2825	2.0493	2.0040	1.3747
C2	1.2825		1.0956	1.0928	2.2695
H3	2.0493	1.0956		1.9529	2.4548
H4	2.0040	1.0928	1.9529		3.2440
O5	1.3747	2.2695	2.4548	3.2440

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	118.820		O1	C2	H4	114.830
C2	O1	O5	117.286		H3	C2	H4	126.349

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

using model chemistry: QCISD(T)=FULL/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: QCISD(T)=FULL/aug-cc-pVDZ

States and conformations

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