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	hartrees
Energy at 0K	-189.769302
Energy at 298.15K	-189.772536
HF Energy	-189.223840
Nuclear repulsion energy	75.110636

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3874	3700	36.64
2	A	3310	3161	5.32
3	A	3168	3026	11.14
4	A	1476	1410	11.46
5	A	1437	1373	47.63
6	A	1235	1180	39.92
7	A	1201	1147	14.25
8	A	934	893	11.22
9	A	775	741	33.07
10	A	507	485	1.71
11	A	299	286	31.66
12	A	209	200	119.39

Atom	x (Å)	y (Å)	z (Å)
C1	1.136	0.261	0.107
O2	0.061	-0.562	-0.069
O3	-1.119	0.238	-0.079
H4	1.044	1.268	-0.286
H5	2.061	-0.300	0.030
H6	-1.463	0.058	0.800

	C1	O2	O3	H4	H5	H6
C1		1.3650	2.2626	1.0846	1.0843	2.6973
O2	1.3650		1.4251	2.0877	2.0190	1.8604
O3	2.2626	1.4251		2.4041	3.2264	0.9616
H4	1.0846	2.0877	2.4041		1.8953	2.9877
H5	1.0843	2.0190	3.2264	1.8953		3.6243
H6	2.6973	1.8604	0.9616	2.9877	3.6243

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	108.359	O2	C1	H4	116.453
O2	C1	H5	110.517	O2	O3	H6	100.628
H4	C1	H5	121.815

All results from a given calculation for CH₂OOH (CH2OOH radical)

using model chemistry: CCD/6-311G**

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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All results from a given calculation for CH2OOH (CH2OOH radical)

using model chemistry: CCD/6-311G**

States and conformations

All results from a given calculation for CH₂OOH (CH2OOH radical)