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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	-153.975479
Energy at 298.15K
HF Energy	-153.475388
Nuclear repulsion energy	74.862103

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3835	3632	11.22
2	A'	3213	3043	8.12
3	A'	3049	2888	63.07
4	A'	1569	1486	0.63
5	A'	1526	1445	6.22
6	A'	1474	1396	2.48
7	A'	1269	1202	71.44
8	A'	1095	1037	89.33
9	A'	1030	975	23.17
10	A'	641	607	21.03
11	A'	382	362	39.09
12	A"	3329	3153	10.35
13	A"	3096	2932	56.28
14	A"	1331	1260	0.26
15	A"	1202	1138	1.31
16	A"	829	785	0.36
17	A"	286	271	153.27
18	A"	73i	70i	0.57

Atom	x (Å)	y (Å)	z (Å)
O1	-1.105	-0.368	0.000
C2	0.000	0.542	0.000
C3	1.258	-0.252	0.000
H4	-1.911	0.157	0.000
H5	-0.033	1.186	0.888
H6	-0.033	1.186	-0.888
H7	1.635	-0.664	-0.926
H8	1.635	-0.664	0.926

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4314	2.3666	0.9612	2.0862	2.0862	2.9075	2.9075
C2	1.4314		1.4875	1.9491	1.0974	1.0974	2.2324	2.2324
C3	2.3666	1.4875		3.1954	2.1265	2.1265	1.0814	1.0814
H4	0.9612	1.9491	3.1954		2.3180	2.3180	3.7552	3.7552
H5	2.0862	1.0974	2.1265	2.3180		1.7758	3.0812	2.4909
H6	2.0862	1.0974	2.1265	2.3180	1.7758		2.4909	3.0812
H7	2.9075	2.2324	1.0814	3.7552	3.0812	2.4909		1.8522
H8	2.9075	2.2324	1.0814	3.7552	2.4909	3.0812	1.8522

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

using model chemistry: MP2=FULL/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	108.329	O1	C2	H5	110.472
O1	C2	H6	110.472	C2	O1	H4	107.474
C2	C3	H7	119.853	C2	C3	H8	119.853
C3	C2	H5	109.776	C3	C2	H6	109.776
H5	C2	H6	108.013	H7	C3	H8	117.827

	hartrees
Energy at 0K	-153.976665
Energy at 298.15K	-153.981379
HF Energy	-153.476413
Nuclear repulsion energy	75.100208

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3862	3658	18.12
2	A	3342	3165	5.35
3	A	3220	3050	5.67
4	A	3045	2884	60.84
5	A	2982	2825	64.30
6	A	1552	1470	3.63
7	A	1512	1432	6.80
8	A	1464	1386	0.41
9	A	1308	1239	69.58
10	A	1261	1194	14.82
11	A	1150	1089	33.78
12	A	1107	1049	37.62
13	A	997	944	9.45
14	A	890	843	14.30
15	A	465	440	24.22
16	A	400	379	54.56
17	A	288	273	119.60
18	A	162	154	23.29

Atom	x (Å)	y (Å)	z (Å)
O1	-1.104	-0.380	-0.059
C2	-0.013	0.524	0.039
C3	1.247	-0.256	-0.029
H4	-1.913	0.113	0.096
H5	-0.061	1.084	0.989
H6	-0.037	1.270	-0.769
H7	2.189	0.241	-0.216
H8	1.247	-1.281	0.313

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4205	2.3548	0.9596	2.0811	2.0890	3.3549	2.5450
C2	1.4205		1.4834	1.9448	1.1042	1.1000	2.2346	2.2180
C3	2.3548	1.4834		3.1839	2.1318	2.1274	1.0811	1.0805
H4	0.9596	1.9448	3.1839		2.2740	2.3670	4.1157	3.4603
H5	2.0811	1.1042	2.1318	2.2740		1.7685	2.6884	2.7859
H6	2.0890	1.1000	2.1274	2.3670	1.7685		2.5145	3.0539
H7	3.3549	2.2346	1.0811	4.1157	2.6884	2.5145		1.8662
H8	2.5450	2.2180	1.0805	3.4603	2.7859	3.0539	1.8662

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	108.346	O1	C2	H5	110.404
O1	C2	H6	111.316	C2	O1	H4	108.022
C2	C3	H7	120.425	C2	C3	H8	118.944
C3	C2	H5	110.082	C3	C2	H6	109.988
H5	C2	H6	106.709	H7	C3	H8	119.386

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

using model chemistry: MP2=FULL/6-311G*

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

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