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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	-153.910299
Energy at 298.15K
HF Energy	-153.453067
Nuclear repulsion energy	74.876918

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3879	3624	14.38
2	A'	3271	3057	7.41
3	A'	3088	2886	59.45
4	A'	1590	1485	1.65
5	A'	1549	1447	2.65
6	A'	1478	1381	10.17
7	A'	1261	1178	60.05
8	A'	1097	1025	84.96
9	A'	1034	966	30.80
10	A'	633	592	15.33
11	A'	383	358	31.63
12	A"	3391	3169	9.91
13	A"	3138	2932	58.84
14	A"	1329	1242	0.14
15	A"	1210	1131	1.43
16	A"	835	780	0.55
17	A"	285	266	134.61
18	A"	22i	21i	0.05

Atom	x (Å)	y (Å)	z (Å)
O1	-1.105	-0.374	0.000
C2	0.000	0.542	0.000
C3	1.259	-0.246	0.000
H4	-1.910	0.157	0.000
H5	-0.035	1.187	0.883
H6	-0.035	1.187	-0.883
H7	1.633	-0.658	-0.922
H8	1.633	-0.658	0.922

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4354	2.3671	0.9646	2.0884	2.0884	2.9025	2.9025
C2	1.4354		1.4852	1.9484	1.0938	1.0938	2.2263	2.2263
C3	2.3671	1.4852		3.1942	2.1233	2.1233	1.0770	1.0770
H4	0.9646	1.9484	3.1942		2.3141	2.3141	3.7502	3.7502
H5	2.0884	1.0938	2.1233	2.3141		1.7653	3.0732	2.4877
H6	2.0884	1.0938	2.1233	2.3141	1.7653		2.4877	3.0732
H7	2.9025	2.2263	1.0770	3.7502	3.0732	2.4877		1.8444
H8	2.9025	2.2263	1.0770	3.7502	2.4877	3.0732	1.8444

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

using model chemistry: MP2=FULL/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	108.269	O1	C2	H5	110.591
O1	C2	H6	110.591	C2	O1	H4	106.906
C2	C3	H7	119.815	C2	C3	H8	119.815
C3	C2	H5	109.898	C3	C2	H6	109.898
H5	C2	H6	107.596	H7	C3	H8	117.799

	hartrees
Energy at 0K	-153.911426
Energy at 298.15K	-153.916191
HF Energy	-153.454126
Nuclear repulsion energy	75.124200

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3903	3647	20.99
2	A	3403	3179	5.44
3	A	3277	3062	5.25
4	A	3089	2886	63.15
5	A	3025	2827	62.42
6	A	1572	1468	3.37
7	A	1532	1432	6.06
8	A	1479	1382	5.74
9	A	1301	1216	56.73
10	A	1259	1177	14.31
11	A	1155	1079	27.36
12	A	1113	1040	44.63
13	A	1011	944	9.76
14	A	898	839	17.05
15	A	472	441	25.66
16	A	409	382	29.13
17	A	292	273	114.05
18	A	180	168	17.41

Atom	x (Å)	y (Å)	z (Å)
O1	-1.104	-0.382	-0.056
C2	-0.010	0.526	0.041
C3	1.245	-0.258	-0.035
H4	-1.912	0.125	0.078
H5	-0.055	1.085	0.988
H6	-0.036	1.272	-0.762
H7	2.183	0.239	-0.213
H8	1.247	-1.271	0.328

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4245	2.3523	0.9631	2.0832	2.0912	3.3490	2.5436
C2	1.4245		1.4815	1.9441	1.1003	1.0963	2.2262	2.2119
C3	2.3523	1.4815		3.1821	2.1307	2.1234	1.0767	1.0762
H4	0.9631	1.9441	3.1821		2.2795	2.3539	4.1070	3.4635
H5	2.0832	1.1003	2.1307	2.2795		1.7593	2.6769	2.7717
H6	2.0912	1.0963	2.1234	2.3539	1.7593		2.5082	3.0500
H7	3.3490	2.2262	1.0767	4.1070	2.6769	2.5082		1.8572
H8	2.5436	2.2119	1.0762	3.4635	2.7717	3.0500	1.8572

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	108.064	O1	C2	H5	110.534
O1	C2	H6	111.441	C2	O1	H4	107.446
C2	C3	H7	120.138	C2	C3	H8	118.866
C3	C2	H5	110.360	C3	C2	H6	110.020
H5	C2	H6	106.436	H7	C3	H8	119.230

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

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

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

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