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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	-153.865559
Energy at 298.15K
HF Energy	-153.439474
Nuclear repulsion energy	74.696549

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3757	3540	15.78
2	A'	3246	3059	6.65
3	A'	3066	2889	56.35
4	A'	1593	1501	1.50
5	A'	1542	1453	3.51
6	A'	1479	1394	7.97
7	A'	1269	1196	63.62
8	A'	1098	1034	80.12
9	A'	1031	971	33.76
10	A'	633	596	18.13
11	A'	383	361	35.06
12	A"	3359	3165	9.19
13	A"	3111	2931	56.91
14	A"	1329	1252	0.08
15	A"	1210	1140	1.37
16	A"	838	789	0.26
17	A"	293	276	142.24
18	A"	49i	46i	0.01

Atom	x (Å)	y (Å)	z (Å)
O1	-1.104	-0.377	0.000
C2	0.000	0.544	0.000
C3	1.259	-0.245	0.000
H4	-1.919	0.155	0.000
H5	-0.038	1.191	0.887
H6	-0.038	1.191	-0.887
H7	1.637	-0.658	-0.926
H8	1.637	-0.658	0.926

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4381	2.3676	0.9728	2.0934	2.0934	2.9073	2.9073
C2	1.4381		1.4863	1.9576	1.0984	1.0984	2.2322	2.2322
C3	2.3676	1.4863		3.2032	2.1290	2.1290	1.0818	1.0818
H4	0.9728	1.9576	3.2032		2.3228	2.3228	3.7632	3.7632
H5	2.0934	1.0984	2.1290	2.3228		1.7739	3.0841	2.4954
H6	2.0934	1.0984	2.1290	2.3228	1.7739		2.4954	3.0841
H7	2.9073	2.2322	1.0818	3.7632	3.0841	2.4954		1.8516
H8	2.9073	2.2322	1.0818	3.7632	2.4954	3.0841	1.8516

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

using model chemistry: MP2=FULL/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	108.099	O1	C2	H5	110.520
O1	C2	H6	110.520	C2	O1	H4	106.990
C2	C3	H7	119.904	C2	C3	H8	119.904
C3	C2	H5	110.003	C3	C2	H6	110.003
H5	C2	H6	107.702	H7	C3	H8	117.690

	hartrees
Energy at 0K	-153.866720
Energy at 298.15K	-153.871460
HF Energy	-153.440407
Nuclear repulsion energy	74.941575

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3783	3564	23.01
2	A	3371	3176	4.65
3	A	3252	3064	4.51
4	A	3062	2885	60.48
5	A	3000	2827	60.20
6	A	1576	1485	2.89
7	A	1527	1439	7.53
8	A	1478	1392	3.26
9	A	1308	1232	65.23
10	A	1260	1187	9.13
11	A	1152	1086	26.83
12	A	1114	1050	43.41
13	A	1012	954	9.28
14	A	899	847	16.15
15	A	467	440	25.01
16	A	405	381	40.38
17	A	296	279	119.83
18	A	172	162	17.18

Atom	x (Å)	y (Å)	z (Å)
O1	-1.104	-0.383	-0.056
C2	-0.010	0.528	0.040
C3	1.246	-0.258	-0.033
H4	-1.921	0.126	0.075
H5	-0.059	1.091	0.990
H6	-0.038	1.274	-0.769
H7	2.190	0.237	-0.214
H8	1.245	-1.280	0.319

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4274	2.3533	0.9711	2.0880	2.0958	3.3559	2.5425
C2	1.4274		1.4825	1.9530	1.1051	1.1010	2.2332	2.2180
C3	2.3533	1.4825		3.1912	2.1373	2.1293	1.0816	1.0809
H4	0.9711	1.9530	3.1912		2.2877	2.3609	4.1221	3.4727
H5	2.0880	1.1051	2.1373	2.2877		1.7680	2.6900	2.7882
H6	2.0958	1.1010	2.1293	2.3609	1.7680		2.5187	3.0577
H7	3.3559	2.2332	1.0816	4.1221	2.6900	2.5187		1.8651
H8	2.5425	2.2180	1.0809	3.4727	2.7882	3.0577	1.8651

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	107.925	O1	C2	H5	110.424
O1	C2	H6	111.321	C2	O1	H4	107.499
C2	C3	H7	120.323	C2	C3	H8	118.990
C3	C2	H5	110.525	C3	C2	H6	110.132
H5	C2	H6	106.534	H7	C3	H8	119.188

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

using model chemistry: MP2=FULL/6-31G*

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

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