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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	CS	²A^'
1	2	no	C1	²A

	hartrees
Energy at 0K	-153.684450
Energy at 298.15K	-153.689083
HF Energy	-153.408647
Nuclear repulsion energy	72.782276

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3628	3502	6.01
2	A'	3175	3065	14.44
3	A'	3036	2930	72.29
4	A'	1553	1499	0.10
5	A'	1514	1462	3.44
6	A'	1447	1396	6.93
7	A'	1233	1191	48.14
8	A'	1046	1010	44.78
9	A'	905	874	74.83
10	A'	663	640	29.64
11	A'	380	367	36.31
12	A"	3305	3191	21.41
13	A"	3099	2991	60.67
14	A"	1306	1261	0.00
15	A"	1173	1132	1.49
16	A"	842	812	0.09
17	A"	258	249	191.25
18	A"	101	97	0.40

Atom	x (Å)	y (Å)	z (Å)
O1	-1.126	-0.430	0.000
C2	0.000	0.574	0.000
C3	1.296	-0.209	0.000
H4	-1.995	0.039	0.000
H5	-0.077	1.208	0.902
H6	-0.077	1.208	-0.902
H7	1.692	-0.605	-0.937
H8	1.692	-0.605	0.937

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.5087	2.4320	0.9871	2.1445	2.1445	2.9746	2.9746
C2	1.5087		1.5139	2.0655	1.1054	1.1054	2.2649	2.2649
C3	2.4320	1.5139		3.3000	2.1692	2.1692	1.0916	1.0916
H4	0.9871	2.0655	3.3000		2.4209	2.4209	3.8579	3.8579
H5	2.1445	1.1054	2.1692	2.4209		1.8042	3.1300	2.5330
H6	2.1445	1.1054	2.1692	2.4209	1.8042		2.5330	3.1300
H7	2.9746	2.2649	1.0916	3.8579	3.1300	2.5330		1.8741
H8	2.9746	2.2649	1.0916	3.8579	2.5330	3.1300	1.8741

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

using model chemistry: MP2/SDD

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	107.147	O1	C2	H5	109.267
O1	C2	H6	109.267	C2	O1	H4	109.936
C2	C3	H7	119.869	C2	C3	H8	119.869
C3	C2	H5	110.861	C3	C2	H6	110.861
H5	C2	H6	109.390	H7	C3	H8	118.268

	hartrees
Energy at 0K	-153.684386
Energy at 298.15K	-153.688891
HF Energy	-153.409521
Nuclear repulsion energy	73.052493

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3656	3529	7.65
2	A	3317	3202	12.41
3	A	3179	3068	13.78
4	A	3047	2942	67.95
5	A	2979	2876	70.17
6	A	1542	1488	1.56
7	A	1488	1436	5.72
8	A	1443	1393	4.63
9	A	1260	1216	47.62
10	A	1205	1163	4.55
11	A	1098	1060	3.68
12	A	1057	1020	60.55
13	A	965	931	9.47
14	A	847	818	25.50
15	A	444	429	41.73
16	A	377	364	66.16
17	A	258	249	159.97
18	A	114	110	18.05

Atom	x (Å)	y (Å)	z (Å)
O1	-1.147	-0.376	-0.056
C2	0.007	0.545	0.036
C3	1.281	-0.272	-0.017
H4	-2.011	0.066	0.092
H5	-0.041	1.132	0.984
H6	-0.007	1.285	-0.792
H7	2.239	0.209	-0.228
H8	1.262	-1.321	0.278

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4792	2.4306	0.9824	2.1393	2.1455	3.4402	2.6087
C2	1.4792		1.5145	2.0749	1.1157	1.1113	2.2726	2.2618
C3	2.4306	1.5145		3.3117	2.1729	2.1642	1.0920	1.0906
H4	0.9824	2.0749	3.3117		2.4105	2.5073	4.2647	3.5598
H5	2.1393	1.1157	2.1729	2.4105		1.7833	2.7423	2.8658
H6	2.1455	1.1113	2.1642	2.5073	1.7833		2.5534	3.0903
H7	3.4402	2.2726	1.0920	4.2647	2.7423	2.5534		1.8850
H8	2.6087	2.2618	1.0906	3.5598	2.8658	3.0903	1.8850

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	108.562	O1	C2	H5	110.273
O1	C2	H6	111.040	C2	O1	H4	113.356
C2	C3	H7	120.490	C2	C3	H8	119.615
C3	C2	H5	110.488	C3	C2	H6	110.072
H5	C2	H6	106.405	H7	C3	H8	119.452

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

using model chemistry: MP2/SDD

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

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