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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	-153.925601
Energy at 298.15K
HF Energy	-153.460279
Nuclear repulsion energy	74.712120

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3861	3626	23.31
2	A'	3267	3068	6.48
3	A'	3103	2914	55.12
4	A'	1575	1479	0.35
5	A'	1537	1444	3.19
6	A'	1454	1366	9.97
7	A'	1238	1162	45.14
8	A'	1085	1019	83.52
9	A'	1002	941	55.09
10	A'	637	598	22.71
11	A'	388	364	39.24
12	A"	3388	3182	6.81
13	A"	3158	2966	40.74
14	A"	1321	1241	0.10
15	A"	1201	1128	0.86
16	A"	833	782	0.29
17	A"	236	222	146.74
18	A"	37i	35i	0.61

Atom	x (Å)	y (Å)	z (Å)
O1	-1.104	-0.386	0.000
C2	0.000	0.546	0.000
C3	1.261	-0.236	0.000
H4	-1.925	0.124	0.000
H5	-0.052	1.182	0.886
H6	-0.052	1.182	-0.886
H7	1.649	-0.631	-0.924
H8	1.649	-0.631	0.924

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4452	2.3699	0.9664	2.0860	2.0860	2.9150	2.9150
C2	1.4452		1.4840	1.9711	1.0921	1.0921	2.2272	2.2272
C3	2.3699	1.4840		3.2064	2.1263	2.1263	1.0774	1.0774
H4	0.9664	1.9711	3.2064		2.3269	2.3269	3.7686	3.7686
H5	2.0860	1.0921	2.1263	2.3269		1.7729	3.0757	2.4864
H6	2.0860	1.0921	2.1263	2.3269	1.7729		2.4864	3.0757
H7	2.9150	2.2272	1.0774	3.7686	3.0757	2.4864		1.8486
H8	2.9150	2.2272	1.0774	3.7686	2.4864	3.0757	1.8486

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

using model chemistry: MP2=FULL/6-31+G**

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	107.997	O1	C2	H5	109.822
O1	C2	H6	109.822	C2	O1	H4	107.988
C2	C3	H7	119.963	C2	C3	H8	119.963
C3	C2	H5	110.332	C3	C2	H6	110.332
H5	C2	H6	108.531	H7	C3	H8	118.161

	hartrees
Energy at 0K	-153.926285
Energy at 298.15K	-153.930933
HF Energy	-153.461169
Nuclear repulsion energy	74.968763

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3885	3649	32.24
2	A	3398	3191	3.49
3	A	3272	3073	4.98
4	A	3108	2919	45.60
5	A	3039	2855	55.83
6	A	1556	1461	2.46
7	A	1521	1429	6.78
8	A	1459	1370	6.74
9	A	1286	1208	36.39
10	A	1242	1167	19.98
11	A	1136	1067	28.41
12	A	1108	1041	56.19
13	A	995	935	12.16
14	A	886	832	18.12
15	A	471	442	30.48
16	A	392	369	51.99
17	A	257	241	120.90
18	A	151	142	18.38

Atom	x (Å)	y (Å)	z (Å)
O1	-1.107	-0.380	-0.066
C2	-0.006	0.529	0.043
C3	1.247	-0.258	-0.025
H4	-1.922	0.106	0.111
H5	-0.067	1.077	0.993
H6	-0.033	1.270	-0.762
H7	2.180	0.226	-0.263
H8	1.252	-1.271	0.340

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4325	2.3582	0.9648	2.0802	2.0881	3.3484	2.5550
C2	1.4325		1.4809	1.9639	1.0986	1.0944	2.2274	2.2158
C3	2.3582	1.4809		3.1930	2.1324	2.1252	1.0772	1.0768
H4	0.9648	1.9639	3.1930		2.2718	2.3848	4.1207	3.4676
H5	2.0802	1.0986	2.1324	2.2718		1.7657	2.7116	2.7717
H6	2.0881	1.0944	2.1252	2.3848	1.7657		2.4971	3.0533
H7	3.3484	2.2274	1.0772	4.1207	2.7116	2.4971		1.8612
H8	2.5550	2.2158	1.0768	3.4676	2.7717	3.0533	1.8612

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	108.071	O1	C2	H5	109.842
O1	C2	H6	110.741	C2	O1	H4	108.430
C2	C3	H7	120.264	C2	C3	H8	119.226
C3	C2	H5	110.639	C3	C2	H6	110.315
H5	C2	H6	107.247	H7	C3	H8	119.558

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

using model chemistry: MP2=FULL/6-31+G**

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

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