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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	-152.897730
Energy at 298.15K
HF Energy	-152.585618
Nuclear repulsion energy	73.200217

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3431	3298	5.54
2	A'	3134	3012	8.09
3	A'	2988	2872	44.99
4	A'	1601	1539	2.23
5	A'	1522	1463	0.30
6	A'	1472	1415	4.63
7	A'	1268	1218	57.18
8	A'	992	953	25.19
9	A'	940	904	39.27
10	A'	617	593	20.01
11	A'	356	342	31.44
12	A"	3239	3113	14.13
13	A"	3014	2897	59.00
14	A"	1324	1273	0.01
15	A"	1175	1130	1.07
16	A"	844	811	0.15
17	A"	284	273	144.43
18	A"	55i	53i	0.02

Atom	x (Å)	y (Å)	z (Å)
O1	-1.125	-0.412	0.000
C2	0.000	0.565	0.000
C3	1.286	-0.227	0.000
H4	-1.965	0.125	0.000
H5	-0.039	1.212	0.892
H6	-0.039	1.212	-0.892
H7	1.666	-0.638	-0.933
H8	1.666	-0.638	0.933

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4902	2.4178	0.9966	2.1479	2.1479	2.9514	2.9514
C2	1.4902		1.5100	2.0135	1.1028	1.1028	2.2563	2.2563
C3	2.4178	1.5100		3.2694	2.1499	2.1499	1.0877	1.0877
H4	0.9966	2.0135	3.2694		2.3846	2.3846	3.8253	3.8253
H5	2.1479	1.1028	2.1499	2.3846		1.7841	3.1077	2.5159
H6	2.1479	1.1028	2.1499	2.3846	1.7841		2.5159	3.1077
H7	2.9514	2.2563	1.0877	3.8253	3.1077	2.5159		1.8655
H8	2.9514	2.2563	1.0877	3.8253	2.5159	3.1077	1.8655

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

using model chemistry: QCISD/3-21G*

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	107.392	O1	C2	H5	110.977
O1	C2	H6	110.977	C2	O1	H4	106.432
C2	C3	H7	119.707	C2	C3	H8	119.707
C3	C2	H5	109.758	C3	C2	H6	109.758
H5	C2	H6	107.979	H7	C3	H8	118.091

	hartrees
Energy at 0K	-152.899003
Energy at 298.15K	-152.903565
HF Energy	-152.587187
Nuclear repulsion energy	73.557129

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3471	3336	1.85
2	A	3261	3135	6.32
3	A	3146	3023	5.95
4	A	2959	2844	57.67
5	A	2917	2803	57.20
6	A	1590	1528	2.62
7	A	1490	1432	2.83
8	A	1472	1414	2.73
9	A	1291	1241	58.08
10	A	1231	1183	2.41
11	A	1092	1049	1.24
12	A	1029	989	40.15
13	A	987	949	7.06
14	A	867	833	14.59
15	A	423	406	16.13
16	A	376	361	63.99
17	A	281	270	112.05
18	A	132	127	21.92

Atom	x (Å)	y (Å)	z (Å)
O1	-1.130	-0.383	-0.055
C2	0.002	0.545	0.034
C3	1.261	-0.272	-0.017
H4	-1.969	0.117	0.099
H5	-0.024	1.138	0.976
H6	0.012	1.287	-0.791
H7	2.220	0.200	-0.218
H8	1.226	-1.316	0.279

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4665	2.3945	0.9881	2.1444	2.1523	3.4044	2.5560
C2	1.4665		1.5020	2.0177	1.1135	1.1088	2.2586	2.2408
C3	2.3945	1.5020		3.2554	2.1509	2.1420	1.0873	1.0860
H4	0.9881	2.0177	3.2554		2.3649	2.4662	4.2014	3.5057
H5	2.1444	1.1135	2.1509	2.3649		1.7728	2.7095	2.8407
H6	2.1523	1.1088	2.1420	2.4662	1.7728		2.5263	3.0646
H7	3.4044	2.2586	1.0873	4.2014	2.7095	2.5263		1.8803
H8	2.5560	2.2408	1.0860	3.5057	2.8407	3.0646	1.8803

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	107.531	O1	C2	H5	111.711
O1	C2	H6	112.652	C2	O1	H4	109.015
C2	C3	H7	120.609	C2	C3	H8	119.089
C3	C2	H5	109.760	C3	C2	H6	109.339
H5	C2	H6	105.830	H7	C3	H8	119.806

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

using model chemistry: QCISD/3-21G*

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

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