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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	-154.099673
Energy at 298.15K
HF Energy	-153.507598
Nuclear repulsion energy	74.824133

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3876	3703	19.79
2	A'	3175	3034	7.47
3	A'	3029	2894	55.12
4	A'	1546	1478	0.35
5	A'	1507	1440	4.78
6	A'	1458	1393	5.98
7	A'	1258	1202	55.08
8	A'	1080	1032	92.49
9	A'	1016	971	22.19
10	A'	617	590	16.07
11	A'	382	365	30.16
12	A"	3282	3136	9.00
13	A"	3065	2929	44.84
14	A"	1311	1252	0.41
15	A"	1189	1136	0.97
16	A"	816	780	0.46
17	A"	248	237	113.77
18	A"	100i	96i	1.03

Atom	x (Å)	y (Å)	z (Å)
O1	-1.113	-0.365	0.000
C2	0.000	0.536	0.000
C3	1.259	-0.258	0.000
H4	-1.911	0.167	0.000
H5	-0.033	1.178	0.885
H6	-0.033	1.178	-0.885
H7	1.663	-0.637	-0.927
H8	1.663	-0.637	0.927

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4323	2.3747	0.9588	2.0809	2.0809	2.9397	2.9397
C2	1.4323		1.4886	1.9464	1.0938	1.0938	2.2364	2.2364
C3	2.3747	1.4886		3.1984	2.1249	2.1249	1.0797	1.0797
H4	0.9588	1.9464	3.1984		2.3091	2.3091	3.7789	3.7789
H5	2.0809	1.0938	2.1249	2.3091		1.7706	3.0749	2.4846
H6	2.0809	1.0938	2.1249	2.3091	1.7706		2.4846	3.0749
H7	2.9397	2.2364	1.0797	3.7789	3.0749	2.4846		1.8535
H8	2.9397	2.2364	1.0797	3.7789	2.4846	3.0749	1.8535

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

using model chemistry: QCISD/cc-pVTZ

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	108.765	O1	C2	H5	110.206
O1	C2	H6	110.206	C2	O1	H4	107.324
C2	C3	H7	120.256	C2	C3	H8	120.256
C3	C2	H5	109.795	C3	C2	H6	109.795
H5	C2	H6	108.065	H7	C3	H8	118.253

	hartrees
Energy at 0K	-154.101055
Energy at 298.15K
HF Energy	-153.508714
Nuclear repulsion energy	75.135254

Atom	x (Å)	y (Å)	z (Å)
O1	-1.103	-0.381	-0.058
C2	-0.013	0.524	0.035
C3	1.247	-0.254	-0.018
H4	-1.902	0.120	0.107
H5	-0.070	1.095	0.974
H6	-0.037	1.258	-0.780
H7	2.183	0.243	-0.218
H8	1.244	-1.291	0.276

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4202	2.3535	0.9572	2.0765	2.0843	3.3489	2.5391
C2	1.4202		1.4814	1.9333	1.1009	1.0968	2.2285	2.2213
C3	2.3535	1.4814		3.1732	2.1299	2.1249	1.0789	1.0786
H4	0.9572	1.9333	3.1732		2.2495	2.3578	4.1000	3.4518
H5	2.0765	1.1009	2.1299	2.2495		1.7626	2.6878	2.8121
H6	2.0843	1.0968	2.1249	2.3578	1.7626		2.5055	3.0424
H7	3.3489	2.2285	1.0789	4.1000	2.6878	2.5055		1.8659
H8	2.5391	2.2213	1.0786	3.4518	2.8121	3.0424	1.8659

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	108.395	O1	C2	H5	110.265
O1	C2	H6	111.156	C2	O1	H4	107.209
C2	C3	H7	120.196	C2	C3	H8	119.553
C3	C2	H5	110.272	C3	C2	H6	110.115
H5	C2	H6	106.641	H7	C3	H8	119.733

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

using model chemistry: QCISD/cc-pVTZ

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

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