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	hartrees
Energy at 0K	-189.225889
Energy at 298.15K	-189.229252
HF Energy	-189.225889
Nuclear repulsion energy	76.336424

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4135	3756	71.88
2	A	3409	3097	8.86
3	A	3272	2973	18.78
4	A	1573	1429	56.60
5	A	1553	1411	9.74
6	A	1313	1193	22.52
7	A	1301	1182	41.12
8	A	1060	963	27.89
9	A	848	771	25.42
10	A	537	487	2.02
11	A	302	275	37.22
12	A	236	215	137.03

Atom	x (Å)	y (Å)	z (Å)
C1	1.135	0.244	0.110
O2	0.042	-0.541	-0.071
O3	-1.095	0.239	-0.074
H4	1.069	1.245	-0.276
H5	2.040	-0.328	0.023
H6	-1.494	0.031	0.755

	C1	O2	O3	H4	H5	H6
C1		1.3578	2.2377	1.0746	1.0743	2.7157
O2	1.3578		1.3792	2.0703	2.0108	1.8361
O3	2.2377	1.3792		2.3952	3.1872	0.9436
H4	1.0746	2.0703	2.3952		1.8726	3.0180
H5	1.0743	2.0108	3.1872	1.8726		3.6270
H6	2.7157	1.8361	0.9436	3.0180	3.6270

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	109.689	O2	C1	H4	116.189
O2	C1	H5	111.010	O2	O3	H6	102.847
H4	C1	H5	121.247

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

using model chemistry: HF/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	-0.004
2	O	-0.232
3	O	-0.265
4	H	0.111
5	H	0.108
6	H	0.282

	x	y	z	Total
	0.344	0.463	1.309	1.430
CHELPG
AIM
ESP

	x	y	z
x	3.812	-0.242	-0.195
y	-0.242	2.421	-0.124
z	-0.195	-0.124	1.977

<r²>	40.928
(<r²>)^1/2	6.397

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

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

States and conformations

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