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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	-154.241154
Energy at 298.15K	-154.235372
HF Energy	-153.440971
Nuclear repulsion energy	75.285880

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4101	3864	34.76
2	A'	3320	3128	12.60
3	A'	3184	3000	78.20
4	A'	1679	1582	2.64
5	A'	1626	1532	7.35
6	A'	1571	1480	10.01
7	A'	1344	1267	108.30
8	A'	1172	1104	118.18
9	A'	1073	1011	2.62
10	A'	648	610	12.40
11	A'	398	375	34.83
12	A"	3422	3225	22.78
13	A"	3213	3027	85.55
14	A"	1416	1334	0.96
15	A"	1281	1207	2.58
16	A"	868	818	1.15
17	A"	302	284	154.92
18	A"	80	75	0.14

Atom	x (Å)	y (Å)	z (Å)
O1	-1.104	-0.377	0.000
C2	0.000	0.544	0.000
C3	1.259	-0.245	0.000
H4	-1.919	0.155	0.000
H5	-0.038	1.191	0.887
H6	-0.038	1.191	-0.887
H7	1.637	-0.658	-0.926
H8	1.637	-0.658	0.926

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4381	2.3676	0.9728	2.0934	2.0934	2.9073	2.9073
C2	1.4381		1.4863	1.9576	1.0984	1.0984	2.2322	2.2322
C3	2.3676	1.4863		3.2032	2.1290	2.1290	1.0818	1.0818
H4	0.9728	1.9576	3.2032		2.3228	2.3228	3.7632	3.7632
H5	2.0934	1.0984	2.1290	2.3228		1.7739	3.0841	2.4954
H6	2.0934	1.0984	2.1290	2.3228	1.7739		2.4954	3.0841
H7	2.9073	2.2322	1.0818	3.7632	3.0841	2.4954		1.8516
H8	2.9073	2.2322	1.0818	3.7632	2.4954	3.0841	1.8516

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

using model chemistry: G3

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	109.010	O1	C2	H5	110.221
O1	C2	H6	110.221	C2	O1	H4	109.179
C2	C3	H7	119.718	C2	C3	H8	119.718
C3	C2	H5	109.871	C3	C2	H6	109.871
H5	C2	H6	107.637	H7	C3	H8	117.639

	hartrees
Energy at 0K	-154.242732
Energy at 298.15K	-154.247785
HF Energy	-153.441817
Nuclear repulsion energy	75.477990

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4116	3878	42.21
2	A	3437	3238	14.31
3	A	3328	3135	10.16
4	A	3175	2991	87.66
5	A	3123	2942	91.45
6	A	1668	1571	3.94
7	A	1620	1526	12.28
8	A	1565	1475	3.96
9	A	1393	1313	87.55
10	A	1359	1280	28.09
11	A	1224	1153	31.87
12	A	1159	1092	50.58
13	A	1057	996	7.33
14	A	948	893	15.96
15	A	482	454	17.73
16	A	418	394	37.24
17	A	303	285	137.11
18	A	173	163	14.39

Atom	x (Å)	y (Å)	z (Å)
O1	-1.104	-0.383	-0.056
C2	-0.010	0.528	0.040
C3	1.246	-0.258	-0.033
H4	-1.921	0.126	0.075
H5	-0.059	1.091	0.990
H6	-0.038	1.274	-0.769
H7	2.190	0.237	-0.214
H8	1.245	-1.280	0.319

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4274	2.3533	0.9711	2.0880	2.0958	3.3559	2.5425
C2	1.4274		1.4825	1.9530	1.1051	1.1010	2.2332	2.2180
C3	2.3533	1.4825		3.1912	2.1373	2.1293	1.0816	1.0809
H4	0.9711	1.9530	3.1912		2.2877	2.3609	4.1221	3.4727
H5	2.0880	1.1051	2.1373	2.2877		1.7680	2.6900	2.7882
H6	2.0958	1.1010	2.1293	2.3609	1.7680		2.5187	3.0577
H7	3.3559	2.2332	1.0816	4.1221	2.6900	2.5187		1.8651
H8	2.5425	2.2180	1.0809	3.4727	2.7882	3.0577	1.8651

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	108.346	O1	C2	H5	109.819
O1	C2	H6	110.324	C2	O1	H4	108.563
C2	C3	H7	120.133	C2	C3	H8	119.707
C3	C2	H5	111.007	C3	C2	H6	110.558
H5	C2	H6	106.791	H7	C3	H8	119.431

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

using model chemistry: G3

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

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