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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	-154.113232
Energy at 298.15K
HF Energy	-153.507600
Nuclear repulsion energy	75.152327

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3865	3669	26.18
2	A'	3240	3076	6.07
3	A'	3070	2915	52.32
4	A'	1556	1477	0.31
5	A'	1517	1441	4.27
6	A'	1457	1383	6.01
7	A'	1249	1186	43.38
8	A'	1086	1031	87.43
9	A'	1021	969	36.82
10	A'	633	601	17.44
11	A'	386	366	30.33
12	A"	3337	3168	5.10
13	A"	3101	2944	38.58
14	A"	1320	1253	0.28
15	A"	1192	1132	0.79
16	A"	826	784	0.24
17	A"	260	246	115.40
18	A"	93i	89i	0.44

Atom	x (Å)	y (Å)	z (Å)
O1	-1.105	-0.372	0.000
C2	0.000	0.537	0.000
C3	1.252	-0.249	0.000
H4	-1.906	0.157	0.000
H5	-0.035	1.175	0.881
H6	-0.035	1.175	-0.881
H7	1.650	-0.629	-0.921
H8	1.650	-0.629	0.921

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4304	2.3598	0.9603	2.0767	2.0767	2.9157	2.9157
C2	1.4304		1.4784	1.9439	1.0884	1.0884	2.2201	2.2201
C3	2.3598	1.4784		3.1844	2.1119	2.1119	1.0727	1.0727
H4	0.9603	1.9439	3.1844		2.3056	2.3056	3.7566	3.7566
H5	2.0767	1.0884	2.1119	2.3056		1.7626	3.0559	2.4682
H6	2.0767	1.0884	2.1119	2.3056	1.7626		2.4682	3.0559
H7	2.9157	2.2201	1.0727	3.7566	3.0559	2.4682		1.8421
H8	2.9157	2.2201	1.0727	3.7566	2.4682	3.0559	1.8421

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

using model chemistry: MP2=FULL/cc-pVTZ

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	108.432	O1	C2	H5	110.337
O1	C2	H6	110.337	C2	O1	H4	107.164
C2	C3	H7	120.145	C2	C3	H8	120.145
C3	C2	H5	109.798	C3	C2	H6	109.798
H5	C2	H6	108.136	H7	C3	H8	118.336

	hartrees
Energy at 0K	-154.114731
Energy at 298.15K	-154.119442
HF Energy	-153.508713
Nuclear repulsion energy	75.474695

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3888	3692	36.73
2	A	3349	3179	2.05
3	A	3246	3082	4.13
4	A	3048	2894	45.23
5	A	2999	2848	50.25
6	A	1533	1455	4.32
7	A	1503	1427	6.00
8	A	1453	1379	1.69
9	A	1289	1224	44.23
10	A	1251	1188	14.46
11	A	1148	1090	47.78
12	A	1094	1038	27.98
13	A	990	940	9.84
14	A	891	846	16.68
15	A	475	451	38.16
16	A	422	400	21.29
17	A	271	257	89.86
18	A	149	142	23.06

Atom	x (Å)	y (Å)	z (Å)
O1	-1.101	-0.378	-0.049
C2	-0.009	0.522	0.032
C3	1.241	-0.256	-0.024
H4	-1.905	0.128	0.082
H5	-0.051	1.095	0.966
H6	-0.031	1.249	-0.782
H7	2.178	0.241	-0.179
H8	1.225	-1.290	0.259

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4174	2.3450	0.9588	2.0735	2.0805	3.3398	2.5175
C2	1.4174		1.4733	1.9377	1.0955	1.0918	2.2156	2.2041
C3	2.3450	1.4733		3.1712	2.1148	2.1109	1.0724	1.0722
H4	0.9588	1.9377	3.1712		2.2703	2.3492	4.0938	3.4410
H5	2.0735	1.0955	2.1148	2.2703		1.7547	2.6479	2.7952
H6	2.0805	1.0918	2.1109	2.3492	1.7547		2.5020	3.0178
H7	3.3398	2.2156	1.0724	4.0938	2.6479	2.5020		1.8558
H8	2.5175	2.2041	1.0722	3.4410	2.7952	3.0178	1.8558

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	108.418	O1	C2	H5	110.552
O1	C2	H6	111.358	C2	O1	H4	107.698
C2	C3	H7	120.175	C2	C3	H8	119.130
C3	C2	H5	109.956	C3	C2	H6	109.862
H5	C2	H6	106.690	H7	C3	H8	119.846

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

using model chemistry: MP2=FULL/cc-pVTZ

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

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