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	hartrees
Energy at 0K	-189.215037
Energy at 298.15K	-189.218420
HF Energy	-189.215037
Nuclear repulsion energy	76.365567

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4136	3539	46.67
2	A	3423	2928	13.86
3	A	3289	2814	22.57
4	A	1606	1374	62.64
5	A	1570	1343	4.72
6	A	1323	1132	7.10
7	A	1309	1120	57.95
8	A	1065	911	27.89
9	A	886	758	23.67
10	A	538	460	2.12
11	A	308	264	46.04
12	A	241	206	150.21

Atom	x (Å)	y (Å)	z (Å)
C1	1.135	0.245	0.115
O2	0.043	-0.540	-0.073
O3	-1.094	0.240	-0.073
H4	1.071	1.240	-0.285
H5	2.036	-0.330	0.017
H6	-1.507	0.023	0.745

	C1	O2	O3	H4	H5	H6
C1		1.3575	2.2362	1.0741	1.0740	2.7246
O2	1.3575		1.3787	2.0666	2.0068	1.8404
O3	2.2362	1.3787		2.3941	3.1831	0.9421
H4	1.0741	2.0666	2.3941		1.8672	3.0313
H5	1.0740	2.0068	3.1831	1.8672		3.6346
H6	2.7246	1.8404	0.9421	3.0313	3.6346

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	109.623	O2	C1	H4	115.912
O2	C1	H5	110.702	O2	O3	H6	103.329
H4	C1	H5	120.747

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

using model chemistry: ROHF/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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Number	Element	Mulliken
1	C	-0.224
2	O	-0.220
3	O	-0.439
4	H	0.220
5	H	0.218
6	H	0.444

	x	y	z	Total
	0.315	0.405	1.364	1.457
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	40.935
(<r²>)^1/2	6.398

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

using model chemistry: ROHF/6-311G*

States and conformations

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