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	hartrees
Energy at 0K	-114.414453
Energy at 298.15K	-114.416954
HF Energy	-114.414453
Nuclear repulsion energy	34.574775

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3503	3380	7.15
2	A	3275	3160	24.74
3	A	3121	3012	18.23
4	A	1516	1463	4.25
5	A	1373	1325	32.59
6	A	1146	1106	48.44
7	A	1048	1011	74.52
8	A	596	575	121.51
9	A	432	417	83.35

Atom	x (Å)	y (Å)	z (Å)
C1	0.702	0.030	-0.068
O2	-0.685	-0.126	0.028
H3	1.236	-0.898	0.083
H4	1.166	0.977	0.195
H5	-1.131	0.752	-0.099

	C1	O2	H3	H4	H5
C1		1.3998	1.0807	1.0868	1.9703
O2	1.3998		2.0708	2.1616	0.9930
H3	1.0807	2.0708		1.8796	2.8903
H4	1.0868	2.1616	1.8796		2.3260
H5	1.9703	0.9930	2.8903	2.3260

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	109.685		O2	C1	H3	112.560
O2	C1	H4	120.225		H3	C1	H4	120.266

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

using model chemistry: B3LYP/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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Number	Element	Mulliken
1	C	-0.196
2	O	-0.516
3	H	0.191
4	H	0.161
5	H	0.360

	x	y	z	Total
	-0.004	1.663	0.194	1.675
CHELPG
AIM
ESP	-0.068	1.628	0.163	1.638

	x	y	z
x	2.650	-0.222	0.045
y	-0.222	2.078	-0.006
z	0.045	-0.006	0.799

<r²>	20.888
(<r²>)^1/2	4.570

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

using model chemistry: B3LYP/3-21G

States and conformations

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