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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	-153.929655
Energy at 298.15K
HF Energy	-153.453252
Nuclear repulsion energy	74.761542

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3912	3668	11.40
2	A'	3246	3043	8.68
3	A'	3077	2885	60.33
4	A'	1590	1491	1.98
5	A'	1545	1448	3.13
6	A'	1486	1393	10.13
7	A'	1271	1192	72.14
8	A'	1105	1037	93.06
9	A'	1038	973	13.74
10	A'	623	584	14.28
11	A'	383	359	31.07
12	A"	3358	3149	13.20
13	A"	3118	2923	62.53
14	A"	1329	1246	0.30
15	A"	1210	1134	1.70
16	A"	830	778	0.86
17	A"	282	264	134.48
18	A"	21i	19i	0.04

Atom	x (Å)	y (Å)	z (Å)
O1	-1.110	-0.367	0.000
C2	0.000	0.541	0.000
C3	1.262	-0.254	0.000
H4	-1.913	0.163	0.000
H5	-0.033	1.187	0.884
H6	-0.033	1.187	-0.884
H7	1.642	-0.661	-0.925
H8	1.642	-0.661	0.925

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4336	2.3742	0.9623	2.0865	2.0865	2.9180	2.9180
C2	1.4336		1.4914	1.9501	1.0953	1.0953	2.2354	2.2354
C3	2.3742	1.4914		3.2022	2.1296	2.1296	1.0795	1.0795
H4	0.9623	1.9501	3.2022		2.3159	2.3159	3.7649	3.7649
H5	2.0865	1.0953	2.1296	2.3159		1.7680	3.0812	2.4949
H6	2.0865	1.0953	2.1296	2.3159	1.7680		2.4949	3.0812
H7	2.9180	2.2354	1.0795	3.7649	3.0812	2.4949		1.8493
H8	2.9180	2.2354	1.0795	3.7649	2.4949	3.0812	1.8493

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	108.500	O1	C2	H5	110.475
O1	C2	H6	110.475	C2	O1	H4	107.320
C2	C3	H7	119.946	C2	C3	H8	119.946
C3	C2	H5	109.883	C3	C2	H6	109.883
H5	C2	H6	107.624	H7	C3	H8	117.856

	hartrees
Energy at 0K	-153.930690
Energy at 298.15K	-153.935416
HF Energy	-153.454283
Nuclear repulsion energy	75.009187

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3932	3687	17.05
2	A	3372	3162	7.74
3	A	3254	3051	6.34
4	A	3071	2879	66.59
5	A	3015	2827	65.93
6	A	1576	1478	3.43
7	A	1533	1438	7.02
8	A	1482	1390	4.99
9	A	1311	1229	71.06
10	A	1266	1187	11.76
11	A	1162	1090	28.80
12	A	1110	1041	37.37
13	A	1013	950	8.28
14	A	901	845	15.97
15	A	465	436	20.55
16	A	403	378	32.72
17	A	287	269	115.41
18	A	165	154	16.27

Atom	x (Å)	y (Å)	z (Å)
O1	-1.102	-0.384	-0.057
C2	-0.014	0.528	0.036
C3	1.247	-0.255	-0.021
H4	-1.906	0.117	0.101
H5	-0.071	1.104	0.973
H6	-0.040	1.261	-0.781
H7	2.186	0.239	-0.215
H8	1.246	-1.288	0.287

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4228	2.3531	0.9605	2.0827	2.0878	3.3498	2.5388
C2	1.4228		1.4858	1.9377	1.1017	1.0979	2.2324	2.2241
C3	2.3531	1.4858		3.1778	2.1386	2.1297	1.0781	1.0775
H4	0.9605	1.9377	3.1778		2.2588	2.3604	4.1058	3.4554
H5	2.0827	1.1017	2.1386	2.2588		1.7615	2.6930	2.8152
H6	2.0878	1.0979	2.1297	2.3604	1.7615		2.5137	3.0482
H7	3.3498	2.2324	1.0781	4.1058	2.6930	2.5137		1.8622
H8	2.5388	2.2241	1.0775	3.4554	2.8152	3.0482	1.8622

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	107.984	O1	C2	H5	110.527
O1	C2	H6	111.190	C2	O1	H4	107.189
C2	C3	H7	120.245	C2	C3	H8	119.534
C3	C2	H5	110.607	C3	C2	H6	110.133
H5	C2	H6	106.421	H7	C3	H8	119.509

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)