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	hartrees
Energy at 0K	-189.202291
Energy at 298.15K	-189.204914
HF Energy	-188.631563
Nuclear repulsion energy	70.914699

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3373	3109	0.96
2	A'	3224	2972	1.72
3	A'	1717	1583	14.68
4	A'	1495	1378	6.22
5	A'	1299	1198	17.97
6	A'	831	766	139.37
7	A'	525	484	1.24
8	A"	1124	1036	20.20
9	A"	719	663	1.48

Atom	x (Å)	y (Å)
O1	0.000	0.463
C2	1.049	-0.166
H3	1.013	-1.243
H4	1.954	0.415
O5	-1.157	-0.235

	O1	C2	H3	H4	O5
O1		1.2227	1.9842	1.9546	1.3516
C2	1.2227		1.0780	1.0759	2.2071
H3	1.9842	1.0780		1.9071	2.3930
H4	1.9546	1.0759	1.9071		3.1787
O5	1.3516	2.2071	2.3930	3.1787

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	119.043		O1	C2	H4	116.357
C2	O1	O5	117.964		H3	C2	H4	124.600

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

using model chemistry: CISD/6-311+G(3df,2p)

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: CISD/6-311+G(3df,2p)

States and conformations

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