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	hartrees
Energy at 0K	-115.083368
Energy at 298.15K	-115.085872
HF Energy	-115.083368
Nuclear repulsion energy	35.059408

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3780	3656	47.81
2	A	3270	3163	15.05
3	A	3117	3015	24.17
4	A	1470	1422	9.73
5	A	1353	1309	27.63
6	A	1183	1144	103.26
7	A	1042	1008	43.29
8	A	593	573	85.96
9	A	431	417	52.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.690	0.028	-0.068
O2	-0.674	-0.126	0.023
H3	1.235	-0.896	0.107
H4	1.123	0.999	0.180
H5	-1.100	0.739	-0.066

	C1	O2	H3	H4	H5
C1		1.3757	1.0875	1.0916	1.9250
O2	1.3757		2.0604	2.1265	0.9678
H3	1.0875	2.0604		1.8998	2.8552
H4	1.0916	2.1265	1.8998		2.2514
H5	1.9250	0.9678	2.8552	2.2514

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	109.216		O2	C1	H3	113.019
O2	C1	H4	118.601		H3	C1	H4	121.343

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

using model chemistry: TPSSh/aug-cc-pVDZ

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	0.613
2	O	-0.342
3	H	-0.243
4	H	-0.177
5	H	0.149

	x	y	z	Total
	-0.034	1.428	0.260	1.452
CHELPG
AIM
ESP

	x	y	z
x	3.640	-0.072	-0.035
y	-0.072	2.986	-0.010
z	-0.035	-0.010	2.892

<r²>	20.902
(<r²>)^1/2	4.572

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

using model chemistry: TPSSh/aug-cc-pVDZ

States and conformations

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