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	hartrees
Energy at 0K	-115.040635
Energy at 298.15K	-115.043113
HF Energy	-115.040635
Nuclear repulsion energy	35.082673

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3747	3694	40.53
2	A	3214	3168	18.78
3	A	3066	3022	24.84
4	A	1458	1437	6.84
5	A	1335	1316	23.00
6	A	1156	1140	83.72
7	A	1037	1022	53.37
8	A	566	558	103.30
9	A	428	422	59.57

Atom	x (Å)	y (Å)	z (Å)
C1	-0.689	0.028	-0.067
O2	0.675	-0.126	0.024
H3	-1.234	-0.894	0.100
H4	-1.127	0.993	0.182
H5	1.097	0.739	-0.074

	C1	O2	H3	H4	H5
C1		1.3762	1.0835	1.0884	1.9223
O2	1.3762		2.0590	2.1271	0.9667
H3	1.0835	2.0590		1.8912	2.8506
H4	1.0884	2.1271	1.8912		2.2531
H5	1.9223	0.9667	2.8506	2.2531

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	109.014		O2	C1	H3	113.137
O2	C1	H4	118.860		H3	C1	H4	121.091

All results from a given calculation for CH₂OH (Hydroxymethyl radical)

using model chemistry: B97D3/TZVP

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	-0.209
2	O	-0.300
3	H	0.129
4	H	0.104
5	H	0.277

	x	y	z	Total
	0.045	1.555	0.252	1.576
CHELPG
AIM
ESP

	x	y	z
x	3.138	0.090	-0.005
y	0.090	2.557	-0.010
z	-0.005	-0.010	2.069

<r²>	20.789
(<r²>)^1/2	4.560

All results from a given calculation for CH2OH (Hydroxymethyl radical)

using model chemistry: B97D3/TZVP

States and conformations

All results from a given calculation for CH₂OH (Hydroxymethyl radical)