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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	-154.095118
Energy at 298.15K
HF Energy	-153.507788
Nuclear repulsion energy	74.902295

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3901	3643	23.67
2	A'	3191	2980	7.02
3	A'	3040	2838	53.53
4	A'	1550	1448	0.36
5	A'	1513	1413	5.55
6	A'	1465	1368	5.84
7	A'	1263	1179	57.66
8	A'	1095	1022	102.30
9	A'	1026	958	12.24
10	A'	618	577	16.51
11	A'	384	359	31.04
12	A"	3301	3082	7.84
13	A"	3078	2874	43.41
14	A"	1318	1230	0.49
15	A"	1193	1114	1.04
16	A"	819	764	0.43
17	A"	260	243	116.51
18	A"	83i	77i	0.29

Atom	x (Å)	y (Å)	z (Å)
O1	-1.112	-0.361	0.000
C2	0.000	0.535	0.000
C3	1.258	-0.261	0.000
H4	-1.910	0.169	0.000
H5	-0.031	1.177	0.884
H6	-0.031	1.177	-0.884
H7	1.661	-0.640	-0.926
H8	1.661	-0.640	0.926

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4285	2.3727	0.9574	2.0778	2.0778	2.9377	2.9377
C2	1.4285		1.4891	1.9448	1.0932	1.0932	2.2360	2.2360
C3	2.3727	1.4891		3.1972	2.1244	2.1244	1.0787	1.0787
H4	0.9574	1.9448	3.1972		2.3086	2.3086	3.7772	3.7772
H5	2.0778	1.0932	2.1244	2.3086		1.7687	3.0732	2.4838
H6	2.0778	1.0932	2.1244	2.3086	1.7687		2.4838	3.0732
H7	2.9377	2.2360	1.0787	3.7772	3.0732	2.4838		1.8519
H8	2.9377	2.2360	1.0787	3.7772	2.4838	3.0732	1.8519

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

using model chemistry: CCD/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	108.812	O1	C2	H5	110.261
O1	C2	H6	110.261	C2	O1	H4	107.553
C2	C3	H7	120.254	C2	C3	H8	120.254
C3	C2	H5	109.756	C3	C2	H6	109.756
H5	C2	H6	107.986	H7	C3	H8	118.265

	hartrees
Energy at 0K	-154.096425
Energy at 298.15K
HF Energy	-153.508873
Nuclear repulsion energy	75.194159

Atom	x (Å)	y (Å)	z (Å)
O1	-1.101	-0.381	-0.057
C2	-0.014	0.525	0.035
C3	1.246	-0.253	-0.018
H4	-1.901	0.117	0.104
H5	-0.071	1.095	0.973
H6	-0.040	1.256	-0.781
H7	2.182	0.243	-0.218
H8	1.244	-1.290	0.275

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4182	2.3515	0.9560	2.0742	2.0810	3.3459	2.5369
C2	1.4182		1.4818	1.9318	1.0997	1.0958	2.2282	2.2209
C3	2.3515	1.4818		3.1714	2.1297	2.1246	1.0778	1.0775
H4	0.9560	1.9318	3.1714		2.2494	2.3544	4.0975	3.4495
H5	2.0742	1.0997	2.1297	2.2494		1.7617	2.6874	2.8115
H6	2.0810	1.0958	2.1246	2.3544	1.7617		2.5057	3.0406
H7	3.3459	2.2282	1.0778	4.0975	2.6874	2.5057		1.8639
H8	2.5369	2.2209	1.0775	3.4495	2.8115	3.0406	1.8639

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	108.337	O1	C2	H5	110.287
O1	C2	H6	111.085	C2	O1	H4	107.305
C2	C3	H7	120.212	C2	C3	H8	119.558
C3	C2	H5	110.295	C3	C2	H6	110.124
H5	C2	H6	106.720	H7	C3	H8	119.719

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

using model chemistry: CCD/cc-pVTZ

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

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