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State	Conformation	minimum conformation	conformer description	state description
1	1	no	CS	²A^'
1	2	yes	C1	²A

	hartrees
Energy at 0K	-152.894349
Energy at 298.15K
HF Energy	-152.586026
Nuclear repulsion energy	73.322162

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3469	3318	4.37
2	A'	3152	3015	7.97
3	A'	3003	2872	42.84
4	A'	1606	1536	1.97
5	A'	1529	1462	0.45
6	A'	1483	1418	4.70
7	A'	1275	1220	58.07
8	A'	1004	960	37.25
9	A'	964	922	27.39
10	A'	619	592	20.26
11	A'	359	343	32.40
12	A"	3257	3116	13.71
13	A"	3030	2898	56.88
14	A"	1332	1274	0.00
15	A"	1181	1129	1.22
16	A"	847	810	0.13
17	A"	295	282	145.84
18	A"	48i	46i	0.28

Atom	x (Å)	y (Å)	z (Å)
O1	-1.124	-0.407	0.000
C2	0.000	0.563	0.000
C3	1.284	-0.231	0.000
H4	-1.962	0.127	0.000
H5	-0.037	1.211	0.891
H6	-0.037	1.211	-0.891
H7	1.661	-0.644	-0.932
H8	1.661	-0.644	0.932

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4846	2.4143	0.9942	2.1429	2.1429	2.9466	2.9466
C2	1.4846		1.5098	2.0103	1.1021	1.1021	2.2551	2.2551
C3	2.4143	1.5098		3.2661	2.1486	2.1486	1.0868	1.0868
H4	0.9942	2.0103	3.2661		2.3825	2.3825	3.8204	3.8204
H5	2.1429	1.1021	2.1486	2.3825		1.7825	3.1057	2.5147
H6	2.1429	1.1021	2.1486	2.3825	1.7825		2.5147	3.1057
H7	2.9466	2.2551	1.0868	3.8204	3.1057	2.5147		1.8637
H8	2.9466	2.2551	1.0868	3.8204	2.5147	3.1057	1.8637

All results from a given calculation for CH₂CH₂OH (2-hydroxy ethyl radical)

using model chemistry: CCD/3-21G*

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	107.462	O1	C2	H5	111.011
O1	C2	H6	111.011	C2	O1	H4	106.709
C2	C3	H7	119.681	C2	C3	H8	119.681
C3	C2	H5	109.713	C3	C2	H6	109.713
H5	C2	H6	107.929	H7	C3	H8	118.054

	hartrees
Energy at 0K	-152.895674
Energy at 298.15K	-152.900242
HF Energy	-152.587525
Nuclear repulsion energy	73.651353

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3505	3352	1.37
2	A	3280	3137	6.03
3	A	3164	3026	5.78
4	A	2978	2848	56.18
5	A	2940	2812	52.84
6	A	1596	1526	2.12
7	A	1498	1433	3.38
8	A	1481	1416	2.30
9	A	1298	1242	58.29
10	A	1240	1186	2.19
11	A	1099	1051	1.62
12	A	1038	993	39.66
13	A	995	952	7.14
14	A	876	838	13.11
15	A	424	406	14.73
16	A	373	357	66.03
17	A	282	270	114.62
18	A	130	125	21.08

Atom	x (Å)	y (Å)	z (Å)
O1	-1.129	-0.383	-0.055
C2	0.001	0.545	0.034
C3	1.261	-0.271	-0.018
H4	-1.967	0.115	0.096
H5	-0.026	1.137	0.975
H6	0.008	1.284	-0.791
H7	2.218	0.201	-0.218
H8	1.226	-1.314	0.279

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4644	2.3923	0.9868	2.1414	2.1480	3.4015	2.5543
C2	1.4644		1.5017	2.0153	1.1123	1.1077	2.2577	2.2398
C3	2.3923	1.5017		3.2527	2.1502	2.1414	1.0864	1.0851
H4	0.9868	2.0153	3.2527		2.3627	2.4609	4.1980	3.5033
H5	2.1414	1.1123	2.1502	2.3627		1.7723	2.7082	2.8390
H6	2.1480	1.1077	2.1414	2.4609	1.7723		2.5269	3.0627
H7	3.4015	2.2577	1.0864	4.1980	2.7082	2.5269		1.8784
H8	2.5543	2.2398	1.0851	3.5033	2.8390	3.0627	1.8784

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	107.517	O1	C2	H5	111.689
O1	C2	H6	112.517	C2	O1	H4	109.049
C2	C3	H7	120.623	C2	C3	H8	119.093
C3	C2	H5	109.791	C3	C2	H6	109.371
H5	C2	H6	105.944	H7	C3	H8	119.772

All results from a given calculation for CH2CH2OH (2-hydroxy ethyl radical)

using model chemistry: CCD/3-21G*

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

All results from a given calculation for CH₂CH₂OH (2-hydroxy ethyl radical)