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	hartrees
Energy at 0K	-113.770936
Energy at 298.15K	-113.773535
HF Energy	-113.770936
Nuclear repulsion energy	34.901084

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3892	3536	29.71
2	A	3415	3102	33.27
3	A	3264	2966	28.39
4	A	1627	1478	11.85
5	A	1455	1321	45.08
6	A	1196	1086	55.17
7	A	1132	1028	111.65
8	A	865	786	28.89
9	A	396	360	182.59

Atom	x (Å)	y (Å)	z (Å)
C1	-0.701	0.033	-0.084
O2	0.678	-0.120	0.041
H3	-1.227	-0.883	0.085
H4	-1.146	0.953	0.252
H5	1.154	0.695	-0.157

	C1	O2	H3	H4	H5
C1		1.3931	1.0698	1.0761	1.9709
O2	1.3931		2.0522	2.1274	0.9646
H3	1.0698	2.0522		1.8454	2.8665
H4	1.0761	2.1274	1.8454		2.3510
H5	1.9709	0.9646	2.8665	2.3510

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	112.150		O2	C1	H3	112.203
O2	C1	H4	118.428		H3	C1	H4	118.625

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

using model chemistry: ROHF/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	-0.096
2	O	-0.677
3	H	0.208
4	H	0.172
5	H	0.393

	x	y	z	Total
	-0.538	1.749	-0.063	1.831
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	20.694
(<r²>)^1/2	4.549

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

using model chemistry: ROHF/3-21G*

States and conformations

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