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	hartrees
Energy at 0K	-114.417969
Energy at 298.15K	-114.420509
HF Energy	-114.417969
Nuclear repulsion energy	34.414905

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3494	3374	6.31
2	A	3261	3149	29.05
3	A	3102	2996	23.02
4	A	1512	1460	4.89
5	A	1375	1328	30.90
6	A	1127	1088	37.31
7	A	1041	1005	79.83
8	A	644	622	98.88
9	A	455	439	101.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.707	0.030	-0.075
O2	-0.690	-0.127	0.030
H3	1.231	-0.902	0.094
H4	1.168	0.974	0.215
H5	-1.125	0.759	-0.105

	C1	O2	H3	H4	H5
C1		1.4098	1.0825	1.0893	1.9724
O2	1.4098		2.0725	2.1671	0.9958
H3	1.0825	2.0725		1.8806	2.8897
H4	1.0893	2.1671	1.8806		2.3256
H5	1.9724	0.9958	2.8897	2.3256

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	108.943		O2	C1	H3	111.853
O2	C1	H4	119.719		H3	C1	H4	119.984

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

using model chemistry: TPSSh/3-21G*

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	-0.222
2	O	-0.522
3	H	0.206
4	H	0.174
5	H	0.364

	x	y	z	Total
	0.051	1.653	0.221	1.668
CHELPG
AIM
ESP

	x	y	z
x	2.689	-0.217	0.044
y	-0.217	2.119	-0.005
z	0.044	-0.005	0.820

<r²>	21.003
(<r²>)^1/2	4.583

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

using model chemistry: TPSSh/3-21G*

States and conformations

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