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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	-153.983780
Energy at 298.15K
HF Energy	-153.463014
Nuclear repulsion energy	74.906776

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3873	3658	23.32
2	A'	3242	3062	4.51
3	A'	3066	2895	48.19
4	A'	1556	1469	0.77
5	A'	1508	1425	4.18
6	A'	1457	1376	7.46
7	A'	1255	1185	49.59
8	A'	1087	1027	88.05
9	A'	1027	970	22.02
10	A'	606	572	14.27
11	A'	373	352	32.00
12	A"	3362	3175	4.39
13	A"	3113	2941	42.91
14	A"	1310	1237	0.27
15	A"	1193	1127	0.98
16	A"	817	772	0.19
17	A"	268	253	116.84
18	A"	93i	88i	0.11

Atom	x (Å)	y (Å)	z (Å)
O1	-1.107	-0.365	0.000
C2	0.000	0.540	0.000
C3	1.256	-0.258	0.000
H4	-1.903	0.172	0.000
H5	-0.032	1.186	0.885
H6	-0.032	1.186	-0.885
H7	1.643	-0.657	-0.925
H8	1.643	-0.657	0.925

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4300	2.3654	0.9608	2.0848	2.0848	2.9163	2.9163
C2	1.4300		1.4878	1.9387	1.0963	1.0963	2.2334	2.2334
C3	2.3654	1.4878		3.1885	2.1274	2.1274	1.0794	1.0794
H4	0.9608	1.9387	3.1885		2.3055	2.3055	3.7579	3.7579
H5	2.0848	1.0963	2.1274	2.3055		1.7701	3.0786	2.4905
H6	2.0848	1.0963	2.1274	2.3055	1.7701		2.4905	3.0786
H7	2.9163	2.2334	1.0794	3.7579	3.0786	2.4905		1.8504
H8	2.9163	2.2334	1.0794	3.7579	2.4905	3.0786	1.8504

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

using model chemistry: MP2/6-31G(2df,p)

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	108.302	O1	C2	H5	110.533
O1	C2	H6	110.533	C2	O1	H4	106.720
C2	C3	H7	120.067	C2	C3	H8	120.067
C3	C2	H5	109.900	C3	C2	H6	109.900
H5	C2	H6	107.675	H7	C3	H8	117.996

	hartrees
Energy at 0K	-153.985235
Energy at 298.15K	-153.989936
HF Energy	-153.464155
Nuclear repulsion energy	75.208989

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3895	3679	31.86
2	A	3373	3186	1.78
3	A	3248	3068	2.97
4	A	3059	2889	47.45
5	A	3001	2835	49.00
6	A	1539	1454	3.81
7	A	1496	1413	7.54
8	A	1449	1369	1.46
9	A	1293	1221	55.25
10	A	1250	1181	9.78
11	A	1150	1087	38.87
12	A	1093	1032	29.05
13	A	992	936	8.51
14	A	885	836	13.87
15	A	454	429	22.16
16	A	398	376	35.04
17	A	285	269	93.81
18	A	165	155	17.70

Atom	x (Å)	y (Å)	z (Å)
O1	-1.097	-0.384	-0.057
C2	-0.014	0.528	0.035
C3	1.241	-0.255	-0.020
H4	-1.893	0.124	0.106
H5	-0.068	1.102	0.974
H6	-0.038	1.263	-0.781
H7	2.179	0.238	-0.213
H8	1.233	-1.289	0.284

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4184	2.3410	0.9589	2.0813	2.0880	3.3382	2.5227
C2	1.4184		1.4801	1.9231	1.1026	1.0988	2.2265	2.2181
C3	2.3410	1.4801		3.1591	2.1319	2.1258	1.0780	1.0778
H4	0.9589	1.9231	3.1591		2.2453	2.3512	4.0866	3.4356
H5	2.0813	1.1026	2.1319	2.2453		1.7633	2.6851	2.8090
H6	2.0880	1.0988	2.1258	2.3512	1.7633		2.5076	3.0439
H7	3.3382	2.2265	1.0780	4.0866	2.6851	2.5076		1.8642
H8	2.5227	2.2181	1.0778	3.4356	2.8090	3.0439	1.8642

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	107.721	O1	C2	H5	110.667
O1	C2	H6	111.464	C2	O1	H4	106.383
C2	C3	H7	120.190	C2	C3	H8	119.431
C3	C2	H5	110.414	C3	C2	H6	110.159
H5	C2	H6	106.442	H7	C3	H8	119.705

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

using model chemistry: MP2/6-31G(2df,p)

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

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