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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	-154.068983
Energy at 298.15K
HF Energy	-153.507405
Nuclear repulsion energy	74.897030

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3848	3654	25.69
2	A'	3217	3054	6.27
3	A'	3054	2899	52.59
4	A'	1544	1466	0.22
5	A'	1507	1431	4.01
6	A'	1449	1376	6.47
7	A'	1245	1182	44.63
8	A'	1078	1023	82.32
9	A'	1013	962	39.65
10	A'	621	590	16.76
11	A'	381	361	31.01
12	A"	3333	3165	5.44
13	A"	3102	2945	39.28
14	A"	1309	1243	0.27
15	A"	1187	1127	0.79
16	A"	819	778	0.27
17	A"	256	243	114.40
18	A"	92i	88i	0.42

Atom	x (Å)	y (Å)	z (Å)
O1	-1.108	-0.373	0.000
C2	0.000	0.539	0.000
C3	1.257	-0.250	0.000
H4	-1.910	0.159	0.000
H5	-0.037	1.179	0.884
H6	-0.037	1.179	-0.884
H7	1.656	-0.633	-0.924
H8	1.656	-0.633	0.924

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4352	2.3682	0.9619	2.0829	2.0829	2.9261	2.9261
C2	1.4352		1.4838	1.9473	1.0922	1.0922	2.2289	2.2289
C3	2.3682	1.4838		3.1928	2.1208	2.1208	1.0770	1.0770
H4	0.9619	1.9473	3.1928		2.3087	2.3087	3.7675	3.7675
H5	2.0829	1.0922	2.1208	2.3087		1.7684	3.0688	2.4796
H6	2.0829	1.0922	2.1208	2.3087	1.7684		2.4796	3.0688
H7	2.9261	2.2289	1.0770	3.7675	3.0688	2.4796		1.8488
H8	2.9261	2.2289	1.0770	3.7675	2.4796	3.0688	1.8488

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

using model chemistry: MP2/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	108.435	O1	C2	H5	110.258
O1	C2	H6	110.258	C2	O1	H4	106.991
C2	C3	H7	120.170	C2	C3	H8	120.170
C3	C2	H5	109.895	C3	C2	H6	109.895
H5	C2	H6	108.097	H7	C3	H8	118.253

	hartrees
Energy at 0K	-154.070342
Energy at 298.15K	-154.075016
HF Energy	-153.508549
Nuclear repulsion energy	75.213804

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3871	3676	35.85
2	A	3345	3176	2.34
3	A	3223	3060	4.25
4	A	3045	2891	44.86
5	A	2987	2836	52.07
6	A	1521	1444	3.65
7	A	1493	1418	6.32
8	A	1444	1371	1.81
9	A	1284	1219	46.17
10	A	1241	1179	12.52
11	A	1138	1080	45.16
12	A	1090	1035	30.70
13	A	985	935	9.73
14	A	882	837	16.04
15	A	462	438	28.77
16	A	407	387	31.21
17	A	265	252	90.53
18	A	151	143	20.32

Atom	x (Å)	y (Å)	z (Å)
O1	-1.101	-0.381	-0.057
C2	-0.010	0.526	0.034
C3	1.242	-0.256	-0.018
H4	-1.900	0.125	0.107
H5	-0.062	1.096	0.973
H6	-0.030	1.258	-0.780
H7	2.178	0.236	-0.215
H8	1.232	-1.289	0.279

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4215	2.3462	0.9600	2.0791	2.0867	3.3405	2.5265
C2	1.4215		1.4765	1.9333	1.0992	1.0953	2.2216	2.2134
C3	2.3462	1.4765		3.1670	2.1235	2.1186	1.0760	1.0758
H4	0.9600	1.9333	3.1670		2.2517	2.3594	4.0926	3.4412
H5	2.0791	1.0992	2.1235	2.2517		1.7602	2.6778	2.8016
H6	2.0867	1.0953	2.1186	2.3594	1.7602		2.4984	3.0341
H7	3.3405	2.2216	1.0760	4.0926	2.6778	2.4984		1.8616
H8	2.5265	2.2134	1.0758	3.4412	2.8016	3.0341	1.8616

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	108.094	O1	C2	H5	110.487
O1	C2	H6	111.355	C2	O1	H4	106.944
C2	C3	H7	120.189	C2	C3	H8	119.441
C3	C2	H5	110.202	C3	C2	H6	110.051
H5	C2	H6	106.663	H7	C3	H8	119.792

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

using model chemistry: MP2/cc-pVTZ

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

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