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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	-153.933216
Energy at 298.15K
HF Energy	-153.453054
Nuclear repulsion energy	74.682817

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3887	3659	9.28
2	A'	3229	3039	9.08
3	A'	3063	2883	62.81
4	A'	1585	1492	2.15
5	A'	1538	1448	2.66
6	A'	1478	1391	10.27
7	A'	1265	1191	69.56
8	A'	1091	1027	84.79
9	A'	1026	966	24.00
10	A'	622	585	14.11
11	A'	381	359	30.41
12	A"	3339	3144	14.36
13	A"	3102	2920	65.07
14	A"	1322	1244	0.24
15	A"	1205	1135	1.61
16	A"	827	779	0.88
17	A"	270	254	132.58
18	A"	55i	51i	0.43

Atom	x (Å)	y (Å)	z (Å)
O1	-1.110	-0.370	0.000
C2	0.000	0.542	0.000
C3	1.263	-0.252	0.000
H4	-1.914	0.161	0.000
H5	-0.035	1.188	0.885
H6	-0.035	1.188	-0.885
H7	1.646	-0.657	-0.926
H8	1.646	-0.657	0.926

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4371	2.3759	0.9635	2.0898	2.0898	2.9212	2.9212
C2	1.4371		1.4913	1.9516	1.0961	1.0961	2.2364	2.2364
C3	2.3759	1.4913		3.2034	2.1305	2.1305	1.0805	1.0805
H4	0.9635	1.9516	3.2034		2.3169	2.3169	3.7678	3.7678
H5	2.0898	1.0961	2.1305	2.3169		1.7697	3.0830	2.4958
H6	2.0898	1.0961	2.1305	2.3169	1.7697		2.4958	3.0830
H7	2.9212	2.2364	1.0805	3.7678	3.0830	2.4958		1.8510
H8	2.9212	2.2364	1.0805	3.7678	2.4958	3.0830	1.8510

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

using model chemistry: QCISD/6-31G**

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	108.440	O1	C2	H5	110.451
O1	C2	H6	110.451	C2	O1	H4	107.125
C2	C3	H7	119.976	C2	C3	H8	119.976
C3	C2	H5	109.920	C3	C2	H6	109.920
H5	C2	H6	107.659	H7	C3	H8	117.870

	hartrees
Energy at 0K	-153.934286
Energy at 298.15K	-153.939000
HF Energy	-153.454118
Nuclear repulsion energy	74.945209

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3909	3680	14.96
2	A	3354	3158	8.61
3	A	3237	3047	6.76
4	A	3053	2874	68.83
5	A	2994	2818	69.04
6	A	1569	1477	3.69
7	A	1526	1436	6.44
8	A	1475	1388	5.32
9	A	1306	1229	69.20
10	A	1257	1183	11.22
11	A	1151	1084	27.64
12	A	1107	1042	40.42
13	A	1006	947	8.69
14	A	894	841	16.89
15	A	464	437	21.05
16	A	401	377	32.22
17	A	284	268	112.16
18	A	165	155	17.42

Atom	x (Å)	y (Å)	z (Å)
O1	-1.103	-0.384	-0.057
C2	-0.013	0.528	0.035
C3	1.248	-0.256	-0.020
H4	-1.907	0.118	0.104
H5	-0.070	1.105	0.974
H6	-0.037	1.264	-0.781
H7	2.187	0.239	-0.216
H8	1.245	-1.290	0.287

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4248	2.3549	0.9615	2.0853	2.0915	3.3525	2.5404
C2	1.4248		1.4857	1.9394	1.1030	1.0990	2.2331	2.2250
C3	2.3549	1.4857		3.1795	2.1393	2.1304	1.0792	1.0786
H4	0.9615	1.9394	3.1795		2.2597	2.3646	4.1085	3.4572
H5	2.0853	1.1030	2.1393	2.2597		1.7624	2.6945	2.8168
H6	2.0915	1.0990	2.1304	2.3646	1.7624		2.5135	3.0503
H7	3.3525	2.2331	1.0792	4.1085	2.6945	2.5135		1.8643
H8	2.5404	2.2250	1.0786	3.4572	2.8168	3.0503	1.8643

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	108.003	O1	C2	H5	110.526
O1	C2	H6	111.286	C2	O1	H4	107.126
C2	C3	H7	120.237	C2	C3	H8	119.535
C3	C2	H5	110.592	C3	C2	H6	110.123
H5	C2	H6	106.331	H7	C3	H8	119.530

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

using model chemistry: QCISD/6-31G**

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

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