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	hartrees
Energy at 0K	-114.973546
Energy at 298.15K	-114.976010
HF Energy	-114.973546
Nuclear repulsion energy	35.418806

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3883	3726	60.93
2	A	3297	3164	11.18
3	A	3150	3023	19.72
4	A	1495	1435	9.27
5	A	1362	1307	22.95
6	A	1234	1184	109.78
7	A	1059	1016	50.95
8	A	547	525	131.35
9	A	412	396	45.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.680	0.028	-0.060
O2	-0.667	-0.125	0.023
H3	1.233	-0.888	0.085
H4	1.120	0.993	0.163
H5	-1.096	0.729	-0.073

	C1	O2	H3	H4	H5
C1		1.3580	1.0798	1.0841	1.9088
O2	1.3580		2.0481	2.1126	0.9602
H3	1.0798	2.0481		1.8864	2.8391
H4	1.0841	2.1126	1.8864		2.2436
H5	1.9088	0.9602	2.8391	2.2436

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	109.656		O2	C1	H3	113.824
O2	C1	H4	119.357		H3	C1	H4	121.329

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

using model chemistry: PBE1PBE/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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Number	Element	Mulliken
1	C	-0.197
2	O	-0.314
3	H	0.127
4	H	0.103
5	H	0.280

	x	y	z	Total
	-0.001	1.599	0.216	1.613
CHELPG
AIM
ESP

	x	y	z
x	2.964	-0.091	0.012
y	-0.091	2.441	-0.009
z	0.012	-0.009	2.004

<r²>	20.537
(<r²>)^1/2	4.532

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

using model chemistry: PBE1PBE/TZVP

States and conformations

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