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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	-153.954496
Energy at 298.15K
HF Energy	-153.475153
Nuclear repulsion energy	74.636254

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3827	3664	4.93
2	A'	3151	3017	9.61
3	A'	3005	2877	64.49
4	A'	1558	1491	0.73
5	A'	1514	1449	6.41
6	A'	1466	1404	2.37
7	A'	1273	1219	79.65
8	A'	1088	1042	87.60
9	A'	1021	977	15.92
10	A'	628	601	19.51
11	A'	379	363	37.66
12	A"	3258	3119	15.08
13	A"	3041	2911	60.73
14	A"	1320	1263	0.38
15	A"	1192	1141	1.51
16	A"	819	784	0.59
17	A"	273	262	148.77
18	A"	94i	90i	1.16

Atom	x (Å)	y (Å)	z (Å)
O1	-1.111	-0.363	0.000
C2	0.000	0.541	0.000
C3	1.263	-0.258	0.000
H4	-1.914	0.164	0.000
H5	-0.032	1.187	0.891
H6	-0.032	1.187	-0.891
H7	1.647	-0.666	-0.930
H8	1.647	-0.666	0.930

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4328	2.3765	0.9606	2.0886	2.0886	2.9272	2.9272
C2	1.4328		1.4942	1.9512	1.1011	1.1011	2.2441	2.2441
C3	2.3765	1.4942		3.2051	2.1352	2.1352	1.0863	1.0863
H4	0.9606	1.9512	3.2051		2.3202	2.3202	3.7737	3.7737
H5	2.0886	1.1011	2.1352	2.3202		1.7819	3.0940	2.5013
H6	2.0886	1.1011	2.1352	2.3202	1.7819		2.5013	3.0940
H7	2.9272	2.2441	1.0863	3.7737	3.0940	2.5013		1.8609
H8	2.9272	2.2441	1.0863	3.7737	2.5013	3.0940	1.8609

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

using model chemistry: QCISD/6-311G*

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	108.553	O1	C2	H5	110.342
O1	C2	H6	110.342	C2	O1	H4	107.584
C2	C3	H7	119.999	C2	C3	H8	119.999
C3	C2	H5	109.790	C3	C2	H6	109.790
H5	C2	H6	108.019	H7	C3	H8	117.854

	hartrees
Energy at 0K	-153.955746
Energy at 298.15K	-153.960414
HF Energy	-153.476181
Nuclear repulsion energy	74.894770

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3853	3689	9.79
2	A	3273	3134	8.65
3	A	3160	3025	7.08
4	A	2990	2863	65.00
5	A	2931	2807	67.60
6	A	1542	1476	3.76
7	A	1505	1441	6.34
8	A	1452	1390	0.55
9	A	1312	1256	83.10
10	A	1254	1200	9.60
11	A	1147	1098	34.09
12	A	1096	1049	31.07
13	A	990	948	8.61
14	A	885	847	14.16
15	A	458	438	20.36
16	A	393	376	56.26
17	A	282	270	114.38
18	A	149	143	24.29

Atom	x (Å)	y (Å)	z (Å)
O1	-1.105	-0.383	-0.058
C2	-0.015	0.526	0.035
C3	1.251	-0.254	-0.019
H4	-1.909	0.112	0.106
H5	-0.075	1.101	0.981
H6	-0.043	1.265	-0.785
H7	2.195	0.245	-0.218
H8	1.250	-1.296	0.282

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4225	2.3597	0.9591	2.0836	2.0905	3.3626	2.5478
C2	1.4225		1.4880	1.9407	1.1082	1.1039	2.2421	2.2317
C3	2.3597	1.4880		3.1842	2.1432	2.1370	1.0856	1.0848
H4	0.9591	1.9407	3.1842		2.2600	2.3680	4.1194	3.4630
H5	2.0836	1.1082	2.1432	2.2600		1.7739	2.7065	2.8263
H6	2.0905	1.1039	2.1370	2.3680	1.7739		2.5239	3.0602
H7	3.3626	2.2421	1.0856	4.1194	2.7065	2.5239		1.8753
H8	2.5478	2.2317	1.0848	3.4630	2.8263	3.0602	1.8753

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	108.318	O1	C2	H5	110.228
O1	C2	H6	111.056	C2	O1	H4	107.560
C2	C3	H7	120.386	C2	C3	H8	119.492
C3	C2	H5	110.429	C3	C2	H6	110.188
H5	C2	H6	106.630	H7	C3	H8	119.541

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

using model chemistry: QCISD/6-311G*

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

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