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	hartrees
Energy at 0K	-190.190630
Energy at 298.15K
HF Energy	-190.190630
Nuclear repulsion energy	64.570109

Atom	x (Å)	y (Å)	z (Å)
C1	1.168	0.257	0.114
O2	0.067	-0.552	-0.074
O3	-1.151	0.238	-0.079
H4	1.106	1.274	-0.285
H5	2.086	-0.329	0.026
H6	-1.530	0.024	0.802

	C1	O2	O3	H4	H5	H6
C1		1.3787	2.3269	1.0939	1.0928	2.7938
O2	1.3787		1.4515	2.1106	2.0333	1.9102
O3	2.3269	1.4515		2.4918	3.2877	0.9827
H4	1.0939	2.1106	2.4918		1.9043	3.1133
H5	1.0928	2.0333	3.2877	1.9043		3.7148
H6	2.7938	1.9102	0.9827	3.1133	3.7148

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	110.582	O2	C1	H4	116.745
O2	C1	H5	110.183	O2	O3	H6	101.659
H4	C1	H5	121.117

Number	Element	Mulliken
1	C	0.091
2	O	-0.253
3	O	-0.480
4	H	0.128
5	H	0.156
6	H	0.358

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

using model chemistry: BLYP/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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HF vs MP2 Bad vib. Calc. vs exp. 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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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	x	y	z	Total
	2.028	0.603	-1.150	2.408
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>	58.039
(<r²>)^1/2	7.618

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

using model chemistry: BLYP/6-31G*

States and conformations

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