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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	-153.884734
Energy at 298.15K
HF Energy	-153.439480
Nuclear repulsion energy	74.554259

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3772	3570	11.03
2	A'	3205	3033	7.86
3	A'	3038	2875	55.97
4	A'	1582	1497	1.54
5	A'	1530	1448	4.79
6	A'	1479	1400	6.92
7	A'	1276	1207	73.48
8	A'	1104	1045	88.76
9	A'	1035	980	15.98
10	A'	622	589	17.20
11	A'	383	362	34.65
12	A"	3310	3133	12.09
13	A"	3076	2912	58.11
14	A"	1323	1252	0.19
15	A"	1204	1139	1.57
16	A"	830	786	0.39
17	A"	288	273	141.13
18	A"	58i	55i	0.01

Atom	x (Å)	y (Å)	z (Å)
O1	-1.110	-0.370	0.000
C2	0.000	0.542	0.000
C3	1.263	-0.253	0.000
H4	-1.922	0.163	0.000
H5	-0.036	1.191	0.889
H6	-0.036	1.191	-0.889
H7	1.648	-0.661	-0.929
H8	1.648	-0.661	0.929

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4366	2.3752	0.9711	2.0925	2.0925	2.9247	2.9247
C2	1.4366		1.4924	1.9587	1.1010	1.1010	2.2424	2.2424
C3	2.3752	1.4924		3.2113	2.1361	2.1361	1.0856	1.0856
H4	0.9711	1.9587	3.2113		2.3241	2.3241	3.7796	3.7796
H5	2.0925	1.1010	2.1361	2.3241		1.7785	3.0940	2.5035
H6	2.0925	1.1010	2.1361	2.3241	1.7785		2.5035	3.0940
H7	2.9247	2.2424	1.0856	3.7796	3.0940	2.5035		1.8585
H8	2.9247	2.2424	1.0856	3.7796	2.5035	3.0940	1.8585

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

using model chemistry: CCD/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	108.359	O1	C2	H5	110.395
O1	C2	H6	110.395	C2	O1	H4	107.295
C2	C3	H7	120.047	C2	C3	H8	120.047
C3	C2	H5	109.983	C3	C2	H6	109.983
H5	C2	H6	107.728	H7	C3	H8	117.747

	hartrees
Energy at 0K	-153.885866
Energy at 298.15K	-153.890557
HF Energy	-153.440382
Nuclear repulsion energy	74.805190

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3794	3591	16.86
2	A	3326	3148	6.57
3	A	3213	3042	5.46
4	A	3028	2866	61.68
5	A	2974	2815	61.76
6	A	1568	1484	2.81
7	A	1522	1441	8.64
8	A	1471	1393	1.92
9	A	1314	1244	78.32
10	A	1260	1193	6.60
11	A	1158	1096	30.58
12	A	1107	1048	33.09
13	A	1011	957	7.97
14	A	900	852	14.52
15	A	460	436	19.90
16	A	397	376	44.45
17	A	290	274	119.38
18	A	155	147	16.90

Atom	x (Å)	y (Å)	z (Å)
O1	-1.103	-0.385	-0.057
C2	-0.013	0.529	0.036
C3	1.249	-0.255	-0.019
H4	-1.916	0.118	0.101
H5	-0.074	1.108	0.979
H6	-0.042	1.265	-0.787
H7	2.194	0.241	-0.218
H8	1.246	-1.295	0.284

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4254	2.3559	0.9690	2.0883	2.0932	3.3591	2.5422
C2	1.4254		1.4873	1.9474	1.1078	1.1039	2.2402	2.2311
C3	2.3559	1.4873		3.1890	2.1452	2.1366	1.0847	1.0840
H4	0.9690	1.9474	3.1890		2.2679	2.3699	4.1235	3.4682
H5	2.0883	1.1078	2.1452	2.2679		1.7726	2.7062	2.8282
H6	2.0932	1.1039	2.1366	2.3699	1.7726		2.5237	3.0596
H7	3.3591	2.2402	1.0847	4.1235	2.7062	2.5237		1.8732
H8	2.5422	2.2311	1.0840	3.4682	2.8282	3.0596	1.8732

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	107.950	O1	C2	H5	110.423
O1	C2	H6	111.072	C2	O1	H4	107.306
C2	C3	H7	120.339	C2	C3	H8	119.564
C3	C2	H5	110.663	C3	C2	H6	110.214
H5	C2	H6	106.541	H7	C3	H8	119.476

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

using model chemistry: CCD/6-31G*

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

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