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	hartrees
Energy at 0K	-114.930340
Energy at 298.15K	-114.932900
HF Energy	-114.930340
Nuclear repulsion energy	35.322978

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3825	3638	41.83
2	A	3300	3139	24.19
3	A	3155	3000	26.74
4	A	1513	1438	11.37
5	A	1388	1320	34.59
6	A	1248	1187	95.13
7	A	1077	1024	48.75
8	A	673	640	63.99
9	A	445	423	104.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.681	0.029	-0.077
O2	-0.668	-0.125	0.029
H3	1.225	-0.889	0.108
H4	1.122	0.982	0.210
H5	-1.091	0.734	-0.092

	C1	O2	H3	H4	H5
C1		1.3623	1.0833	1.0883	1.9075
O2	1.3623		2.0430	2.1126	0.9653
H3	1.0833	2.0430		1.8771	2.8354
H4	1.0883	2.1126	1.8771		2.2474
H5	1.9075	0.9653	2.8354	2.2474

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	108.867		O2	C1	H3	112.812
O2	C1	H4	118.674		H3	C1	H4	119.625

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

using model chemistry: HSEh1PBE/6-31G*

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	-0.191
2	O	-0.551
3	H	0.171
4	H	0.148
5	H	0.424

	x	y	z	Total
	-0.022	1.550	0.199	1.563
CHELPG
AIM
ESP

	x	y	z
x	2.650	-0.143	0.061
y	-0.143	2.244	0.009
z	0.061	0.009	1.179

<r²>	20.324
(<r²>)^1/2	4.508

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

using model chemistry: HSEh1PBE/6-31G*

States and conformations

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