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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	-153.691723
Energy at 298.15K	-153.696308
HF Energy	-153.377830
Nuclear repulsion energy	73.343571

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3632	3485	2.78
2	A'	3152	3025	9.56
3	A'	2996	2875	48.28
4	A'	1575	1512	1.19
5	A'	1518	1457	1.20
6	A'	1463	1404	6.41
7	A'	1256	1205	56.36
8	A'	1057	1015	41.63
9	A'	944	906	53.05
10	A'	634	608	19.18
11	A'	381	365	33.56
12	A"	3261	3129	18.30
13	A"	3033	2910	57.85
14	A"	1311	1257	0.03
15	A"	1178	1130	1.59
16	A"	834	800	0.13
17	A"	279	268	180.53
18	A"	58	55	0.01

Atom	x (Å)	y (Å)	z (Å)
O1	-1.123	-0.412	0.000
C2	0.000	0.560	0.000
C3	1.286	-0.219	0.000
H4	-1.976	0.068	0.000
H5	-0.063	1.205	0.895
H6	-0.063	1.205	-0.895
H7	1.685	-0.615	-0.935
H8	1.685	-0.615	0.935

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4854	2.4162	0.9796	2.1306	2.1306	2.9658	2.9658
C2	1.4854		1.5036	2.0367	1.1049	1.1049	2.2570	2.2570
C3	2.4162	1.5036		3.2748	2.1562	2.1562	1.0907	1.0907
H4	0.9796	2.0367	3.2748		2.3987	2.3987	3.8398	3.8398
H5	2.1306	1.1049	2.1562	2.3987		1.7901	3.1172	2.5241
H6	2.1306	1.1049	2.1562	2.3987	1.7901		2.5241	3.1172
H7	2.9658	2.2570	1.0907	3.8398	3.1172	2.5241		1.8691
H8	2.9658	2.2570	1.0907	3.8398	2.5241	3.1172	1.8691

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

using model chemistry: CCD/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	107.874	O1	C2	H5	109.806
O1	C2	H6	109.806	C2	O1	H4	109.725
C2	C3	H7	120.071	C2	C3	H8	120.071
C3	C2	H5	110.574	C3	C2	H6	110.574
H5	C2	H6	108.207	H7	C3	H8	117.934

	hartrees
Energy at 0K	-153.692320
Energy at 298.15K	-153.696875
HF Energy	-153.378737
Nuclear repulsion energy	73.637640

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3660	3511	3.48
2	A	3280	3147	8.64
3	A	3161	3033	7.71
4	A	2981	2860	61.45
5	A	2936	2817	56.63
6	A	1567	1504	1.71
7	A	1496	1436	4.52
8	A	1465	1406	2.95
9	A	1283	1231	56.96
10	A	1223	1174	2.17
11	A	1099	1055	2.20
12	A	1075	1032	51.98
13	A	995	955	7.45
14	A	875	839	22.26
15	A	442	424	22.92
16	A	389	373	56.67
17	A	275	264	154.94
18	A	108	104	18.25

Atom	x (Å)	y (Å)	z (Å)
O1	-1.135	-0.377	-0.055
C2	0.004	0.540	0.036
C3	1.271	-0.268	-0.017
H4	-1.988	0.077	0.086
H5	-0.048	1.131	0.980
H6	-0.013	1.278	-0.792
H7	2.227	0.212	-0.229
H8	1.251	-1.317	0.276

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4653	2.4085	0.9765	2.1278	2.1315	3.4175	2.5859
C2	1.4653		1.5031	2.0460	1.1146	1.1099	2.2623	2.2496
C3	2.4085	1.5031		3.2785	2.1653	2.1536	1.0907	1.0894
H4	0.9765	2.0460	3.2785		2.3822	2.4735	4.2288	3.5314
H5	2.1278	1.1146	2.1653	2.3822		1.7787	2.7350	2.8592
H6	2.1315	1.1099	2.1536	2.4735	1.7787		2.5432	3.0777
H7	3.4175	2.2623	1.0907	4.2288	2.7350	2.5432		1.8829
H8	2.5859	2.2496	1.0894	3.5314	2.8592	3.0777	1.8829

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	108.449	O1	C2	H5	110.396
O1	C2	H6	110.971	C2	O1	H4	112.287
C2	C3	H7	120.597	C2	C3	H8	119.537
C3	C2	H5	110.742	C3	C2	H6	110.099
H5	C2	H6	106.189	H7	C3	H8	119.459

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

using model chemistry: CCD/6-31G

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

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