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	hartrees
Energy at 0K	-187.850918
Energy at 298.15K	-187.853263
HF Energy	-187.512935
Nuclear repulsion energy	67.111256

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3329	3178	2.27
2	A'	3178	3034	1.89
3	A'	1535	1466	1.95
4	A'	1297	1238	37.49
5	A'	1211	1156	23.72
6	A'	615	587	196.03
7	A'	385	367	74.72
8	A"	1010	965	45.53
9	A"	667	636	0.50

Atom	x (Å)	y (Å)
O1	0.000	0.514
C2	1.105	-0.158
H3	1.055	-1.239
H4	2.029	0.405
O5	-1.215	-0.291

	O1	C2	H3	H4	O5
O1		1.2935	2.0460	2.0315	1.4568
C2	1.2935		1.0825	1.0812	2.3239
H3	2.0460	1.0825		1.9109	2.4598
H4	2.0315	1.0812	1.9109		3.3170
O5	1.4568	2.3239	2.4598	3.3170

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	118.607		O1	C2	H4	117.341
C2	O1	O5	115.200		H3	C2	H4	124.051

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

using model chemistry: MP2=FULL/3-21G

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: MP2=FULL/3-21G

States and conformations

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