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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	-154.104750
Energy at 298.15K	-154.099030
HF Energy	-153.437900
Nuclear repulsion energy	75.265457

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4110	4110	25.95
2	A'	3302	3302	12.43
3	A'	3167	3167	78.00
4	A'	1665	1665	2.22
5	A'	1617	1617	7.81
6	A'	1561	1561	8.04
7	A'	1341	1341	114.75
8	A'	1170	1170	111.49
9	A'	1068	1068	2.60
10	A'	645	645	10.85
11	A'	394	394	35.62
12	A"	3407	3407	22.02
13	A"	3200	3200	84.56
14	A"	1411	1411	1.12
15	A"	1273	1273	2.63
16	A"	859	859	1.15
17	A"	312	312	168.80
18	A"	82	82	0.20

Atom	x (Å)	y (Å)	z (Å)
O1	-1.105	-0.340	0.000
C2	0.000	0.536	0.000
C3	1.261	-0.270	0.000
H4	-1.906	0.158	0.000
H5	-0.031	1.180	0.880
H6	-0.031	1.180	-0.880
H7	1.622	-0.697	-0.922
H8	1.622	-0.697	0.922

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4108	2.3676	0.9428	2.0592	2.0592	2.9010	2.9010
C2	1.4108		1.4967	1.9431	1.0909	1.0909	2.2361	2.2361
C3	2.3676	1.4967		3.1957	2.1317	2.1317	1.0779	1.0779
H4	0.9428	1.9431	3.1957		2.3099	2.3099	3.7451	3.7451
H5	2.0592	1.0909	2.1317	2.3099		1.7608	3.0820	2.5006
H6	2.0592	1.0909	2.1317	2.3099	1.7608		2.5006	3.0820
H7	2.9010	2.2361	1.0779	3.7451	3.0820	2.5006		1.8433
H8	2.9010	2.2361	1.0779	3.7451	2.5006	3.0820	1.8433

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

using model chemistry: CBS-Q

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	109.007	O1	C2	H5	110.147
O1	C2	H6	110.147	C2	O1	H4	109.693
C2	C3	H7	119.696	C2	C3	H8	119.696
C3	C2	H5	109.953	C3	C2	H6	109.953
H5	C2	H6	107.625	H7	C3	H8	117.524

	hartrees
Energy at 0K	-154.106492
Energy at 298.15K	-154.111571
HF Energy	-153.438828
Nuclear repulsion energy	75.452832

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4124	4124	32.68
2	A	3422	3422	13.43
3	A	3310	3310	10.14
4	A	3161	3161	87.98
5	A	3109	3109	90.07
6	A	1654	1654	3.64
7	A	1613	1613	11.48
8	A	1552	1552	2.58
9	A	1392	1392	93.22
10	A	1357	1357	28.60
11	A	1217	1217	33.68
12	A	1152	1152	44.87
13	A	1051	1051	7.81
14	A	942	942	15.55
15	A	481	481	19.89
16	A	422	422	34.06
17	A	317	317	151.44
18	A	178	178	14.20

Atom	x (Å)	y (Å)	z (Å)
O1	-1.093	-0.381	-0.056
C2	-0.023	0.524	0.037
C3	1.251	-0.248	-0.022
H4	-1.901	0.080	0.091
H5	-0.097	1.090	0.972
H6	-0.070	1.250	-0.776
H7	2.181	0.257	-0.212
H8	1.263	-1.279	0.283

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4047	2.3481	0.9414	2.0524	2.0558	3.3398	2.5442
C2	1.4047		1.4909	1.9303	1.0949	1.0913	2.2343	2.2280
C3	2.3481	1.4909		3.1708	2.1436	2.1352	1.0759	1.0747
H4	0.9414	1.9303	3.1708		2.2472	2.3393	4.0972	3.4486
H5	2.0524	1.0949	2.1436	2.2472		1.7551	2.6990	2.8168
H6	2.0558	1.0913	2.1352	2.3393	1.7551		2.5244	3.0486
H7	3.3398	2.2343	1.0759	4.0972	2.6990	2.5244		1.8568
H8	2.5442	2.2280	1.0747	3.4486	2.8168	3.0486	1.8568

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	108.340	O1	C2	H5	109.768
O1	C2	H6	110.270	C2	O1	H4	109.132
C2	C3	H7	120.165	C2	C3	H8	119.675
C3	C2	H5	111.060	C3	C2	H6	110.612
H5	C2	H6	106.794	H7	C3	H8	119.406

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

using model chemistry: CBS-Q

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

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