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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	-153.890666
Energy at 298.15K
HF Energy	-153.439782
Nuclear repulsion energy	74.691565

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3799	3565	13.01
2	A'	3231	3032	7.34
3	A'	3061	2872	55.42
4	A'	1590	1492	1.50
5	A'	1539	1444	4.83
6	A'	1486	1394	7.16
7	A'	1281	1202	73.94
8	A'	1111	1042	91.89
9	A'	1042	978	14.45
10	A'	624	586	17.68
11	A'	384	360	35.59
12	A"	3338	3132	11.01
13	A"	3099	2908	57.96
14	A"	1331	1249	0.22
15	A"	1210	1135	1.61
16	A"	835	783	0.35
17	A"	296	277	142.37
18	A"	64i	60i	0.00

Atom	x (Å)	y (Å)	z (Å)
O1	-1.108	-0.361	0.000
C2	0.000	0.541	0.000
C3	1.259	-0.260	0.000
H4	-1.920	0.166	0.000
H5	-0.021	1.190	0.887
H6	-0.021	1.190	-0.887
H7	1.638	-0.672	-0.928
H8	1.638	-0.672	0.928

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4285	2.3689	0.9674	2.0915	2.0915	2.9158	2.9158
C2	1.4285		1.4919	1.9561	1.0998	1.0998	2.2396	2.2396
C3	2.3689	1.4919		3.2068	2.1283	2.1283	1.0841	1.0841
H4	0.9674	1.9561	3.2068		2.3327	2.3327	3.7713	3.7713
H5	2.0915	1.0998	2.1283	2.3327		1.7747	3.0850	2.4944
H6	2.0915	1.0998	2.1283	2.3327	1.7747		2.4944	3.0850
H7	2.9158	2.2396	1.0841	3.7713	3.0850	2.4944		1.8570
H8	2.9158	2.2396	1.0841	3.7713	2.4944	3.0850	1.8570

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

using model chemistry: MP3=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	108.396	O1	C2	H5	110.956
O1	C2	H6	110.956	C2	O1	H4	107.903
C2	C3	H7	119.940	C2	C3	H8	119.940
C3	C2	H5	109.474	C3	C2	H6	109.474
H5	C2	H6	107.568	H7	C3	H8	117.840

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

using model chemistry: MP3=FULL/6-31G*

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

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