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	hartrees
Energy at 0K	-189.402603
Energy at 298.15K	-189.405179
HF Energy	-189.226714
Nuclear repulsion energy	69.923638

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3359	3186	0.53
2	A'	3201	3036	4.30
3	A'	1513	1435	25.06
4	A'	1366	1295	75.11
5	A'	1265	1199	21.00
6	A'	1029	975	82.92
7	A'	541	513	0.34
8	A"	842	799	40.59
9	A"	673	638	8.70

Atom	x (Å)	y (Å)
O1	0.000	0.459
C2	1.074	-0.232
H3	1.000	-1.312
H4	1.989	0.344
O5	-1.179	-0.165

	O1	C2	H3	H4	O5
O1		1.2773	2.0344	1.9924	1.3342
C2	1.2773		1.0834	1.0805	2.2547
H3	2.0344	1.0834		1.9289	2.4631
H4	1.9924	1.0805	1.9289		3.2088
O5	1.3342	2.2547	2.4631	3.2088

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	118.802		O1	C2	H4	115.097
C2	O1	O5	119.380		H3	C2	H4	126.101

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

using model chemistry: B2PLYP=FULL/6-31G*

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=FULL/6-31G*

States and conformations

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