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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	-153.839471
Energy at 298.15K
HF Energy	-153.440342
Nuclear repulsion energy	74.888573

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3886	3590	18.82
2	A'	3267	3018	7.92
3	A'	3107	2870	59.25
4	A'	1615	1491	1.60
5	A'	1562	1442	5.39
6	A'	1508	1393	7.32
7	A'	1296	1197	80.54
8	A'	1130	1044	102.61
9	A'	1056	975	9.27
10	A'	632	584	16.69
11	A'	388	359	35.72
12	A"	3373	3116	12.54
13	A"	3144	2904	61.87
14	A"	1353	1250	0.32
15	A"	1230	1136	1.80
16	A"	844	780	0.45
17	A"	291	269	146.43
18	A"	40i	37i	0.00

Atom	x (Å)	y (Å)	z (Å)
O1	-1.106	-0.363	0.000
C2	0.000	0.540	0.000
C3	1.259	-0.256	0.000
H4	-1.915	0.162	0.000
H5	-0.035	1.185	0.884
H6	-0.035	1.185	-0.884
H7	1.639	-0.665	-0.925
H8	1.639	-0.665	0.925

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4277	2.3682	0.9637	2.0797	2.0797	2.9128	2.9128
C2	1.4277		1.4895	1.9518	1.0951	1.0951	2.2347	2.2347
C3	2.3682	1.4895		3.2017	2.1286	2.1286	1.0803	1.0803
H4	0.9637	1.9518	3.2017		2.3160	2.3160	3.7643	3.7643
H5	2.0797	1.0951	2.1286	2.3160		1.7687	3.0816	2.4950
H6	2.0797	1.0951	2.1286	2.3160	1.7687		2.4950	3.0816
H7	2.9128	2.2347	1.0803	3.7643	3.0816	2.4950		1.8494
H8	2.9128	2.2347	1.0803	3.7643	2.4950	3.0816	1.8494

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

using model chemistry: CID/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	108.530	O1	C2	H5	110.352
O1	C2	H6	110.352	C2	O1	H4	107.833
C2	C3	H7	119.975	C2	C3	H8	119.975
C3	C2	H5	109.947	C3	C2	H6	109.947
H5	C2	H6	107.712	H7	C3	H8	117.733

	hartrees
Energy at 0K	-153.840580
Energy at 298.15K	-153.845307
HF Energy	-153.441210
Nuclear repulsion energy	75.127150

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3906	3608	25.89
2	A	3389	3130	6.74
3	A	3276	3026	5.59
4	A	3098	2861	65.50
5	A	3044	2812	65.85
6	A	1601	1479	3.01
7	A	1554	1435	9.39
8	A	1502	1387	2.15
9	A	1337	1235	82.98
10	A	1291	1192	10.10
11	A	1185	1095	33.49
12	A	1125	1039	35.17
13	A	1030	951	7.68
14	A	919	849	14.83
15	A	466	430	18.45
16	A	401	370	47.00
17	A	293	271	122.97
18	A	158	146	17.66

Atom	x (Å)	y (Å)	z (Å)
O1	-1.101	-0.382	-0.050
C2	-0.015	0.525	0.038
C3	1.248	-0.255	-0.031
H4	-1.918	0.115	0.061
H5	-0.065	1.093	0.980
H6	-0.048	1.261	-0.776
H7	2.190	0.248	-0.193
H8	1.249	-1.285	0.289

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4180	2.3533	0.9624	2.0763	2.0826	3.3543	2.5405
C2	1.4180		1.4861	1.9474	1.1012	1.0976	2.2342	2.2219
C3	2.3533	1.4861		3.1896	2.1363	2.1289	1.0799	1.0790
H4	0.9624	1.9474	3.1896		2.2886	2.3482	4.1185	3.4703
H5	2.0763	1.1012	2.1363	2.2886		1.7633	2.6789	2.8039
H6	2.0826	1.0976	2.1289	2.3482	1.7633		2.5244	3.0493
H7	3.3543	2.2342	1.0799	4.1185	2.6789	2.5244		1.8628
H8	2.5405	2.2219	1.0790	3.4703	2.8039	3.0493	1.8628

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	108.235	O1	C2	H5	110.374
O1	C2	H6	111.118	C2	O1	H4	108.263
C2	C3	H7	120.259	C2	C3	H8	119.192
C3	C2	H5	110.435	C3	C2	H6	110.062
H5	C2	H6	106.629	H7	C3	H8	119.278

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

using model chemistry: CID/6-31G*

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

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